#------------------------------------------------------------------------------
#$Date: 2020-06-05 13:49:24 +0300 (Fri, 05 Jun 2020) $
#$Revision: 252792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/41/7704105.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7704105
loop_
_publ_author_name
'Khatua, Manas'
'Goswami, Bappaditya'
'Samanta, Subhas'
_publ_section_title
;
 Dehydrogenation of amines in aryl-amine functionalized pincer-like
 nitrogen-donor redox non-innocent ligands via ligand reduction on a
 Ni(ii) template.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6816
_journal_page_last               6831
_journal_paper_doi               10.1039/d0dt00466a
_journal_volume                  49
_journal_year                    2020
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C18 H16 N4'
_chemical_formula_sum            'C18 H16 N4'
_chemical_formula_weight         288.35
_chemical_name_systematic        HLc
_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2019-11-11
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-11-14 deposited with the CCDC.	2020-04-16 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.279(4)
_cell_length_b                   10.4375(13)
_cell_length_c                   4.6429(6)
_cell_measurement_reflns_used    5247
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      66.0330
_cell_measurement_theta_min      3.0190
_cell_volume                     1418.9(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 7.9580
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   57.00  120.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       26.0811  178.0000 -180.0000 63

#__ type_ start__ end____ width___ exp.time_
  2 omega  -12.00  102.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       26.0811   57.0000  120.0000 114

#__ type_ start__ end____ width___ exp.time_
  3 omega  -12.00  102.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       26.0811   57.0000 -150.0000 114

#__ type_ start__ end____ width___ exp.time_
  4 omega  -10.00  151.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       67.0406   30.0000  -90.0000 161

#__ type_ start__ end____ width___ exp.time_
  5 omega   30.00  144.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       67.0406   61.0000  -60.0000 114

#__ type_ start__ end____ width___ exp.time_
  6 omega   57.00  150.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       67.0406  178.0000    0.0000 93

#__ type_ start__ end____ width___ exp.time_
  7 omega  100.00  152.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       67.0406  111.0000  -30.0000 52

#__ type_ start__ end____ width___ exp.time_
  8 omega  100.00  152.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       67.0406  111.0000  -90.0000 52

#__ type_ start__ end____ width___ exp.time_
  9 omega   71.00  178.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   65.0000 -180.0000 107

#__ type_ start__ end____ width___ exp.time_
 10 omega  101.00  178.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  104.0000   60.0000 77

#__ type_ start__ end____ width___ exp.time_
 11 omega   23.00  151.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -77.0000   60.0000 128

#__ type_ start__ end____ width___ exp.time_
 12 omega   25.00  178.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -32.0000    0.0000 153

#__ type_ start__ end____ width___ exp.time_
 13 omega   21.00  113.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -104.0000  -30.0000 92

#__ type_ start__ end____ width___ exp.time_
 14 omega   86.00  178.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  138.0000  -60.0000 92

#__ type_ start__ end____ width___ exp.time_
 15 omega  101.00  178.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  104.0000  -30.0000 77

#__ type_ start__ end____ width___ exp.time_
 16 omega   58.00  178.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   43.0000   90.0000 120

#__ type_ start__ end____ width___ exp.time_
 17 omega   69.00  178.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   54.0000  120.0000 109

#__ type_ start__ end____ width___ exp.time_
 18 omega   21.00  113.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -104.0000  -60.0000 92

#__ type_ start__ end____ width___ exp.time_
 19 omega   23.00  151.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -77.0000  -60.0000 128

#__ type_ start__ end____ width___ exp.time_
 20 omega   25.00  119.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -121.0000   -6.1038 94

#__ type_ start__ end____ width___ exp.time_
 21 omega   71.00  178.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   65.0000 -150.0000 107

#__ type_ start__ end____ width___ exp.time_
 22 omega   29.00  145.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -65.0000    0.0000 116

#__ type_ start__ end____ width___ exp.time_
 23 omega  -50.00   64.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       26.0811  -57.0000 -120.0000 114

#__ type_ start__ end____ width___ exp.time_
 24 omega  -50.00   64.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       26.0811  -57.0000    0.0000 114

#__ type_ start__ end____ width___ exp.time_
 25 omega  -17.00  111.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       26.0811   77.0000  -30.0000 128

#__ type_ start__ end____ width___ exp.time_
 26 omega   23.00   49.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       67.0406   78.0000  175.7134 26

#__ type_ start__ end____ width___ exp.time_
 27 omega   24.00  152.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       67.0406   77.0000   90.0000 128

#__ type_ start__ end____ width___ exp.time_
 28 omega  100.00  152.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       67.0406  111.0000  150.0000 52

#__ type_ start__ end____ width___ exp.time_
 29 omega   30.00  144.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       67.0406   61.0000  150.0000 114

#__ type_ start__ end____ width___ exp.time_
 30 omega  100.00  152.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       67.0406  111.0000 -150.0000 52

#__ type_ start__ end____ width___ exp.time_
 31 omega   30.00  144.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       67.0406   61.0000   30.0000 114

#__ type_ start__ end____ width___ exp.time_
 32 omega   71.00  113.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   65.0000  150.0000 42

#__ type_ start__ end____ width___ exp.time_
 33 omega   69.00  178.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   54.0000  -90.0000 109

#__ type_ start__ end____ width___ exp.time_
 34 omega   36.00  178.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   32.0000   30.0000 142
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0435057000
_diffrn_orient_matrix_UB_12      -0.1830115000
_diffrn_orient_matrix_UB_13      0.0165977000
_diffrn_orient_matrix_UB_21      0.0279305000
_diffrn_orient_matrix_UB_22      -0.2761844000
_diffrn_orient_matrix_UB_23      -0.0232587000
_diffrn_orient_matrix_UB_31      0.0094901000
_diffrn_orient_matrix_UB_32      -0.0230745000
_diffrn_orient_matrix_UB_33      0.1448187000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0721
_diffrn_reflns_av_unetI/netI     0.0448
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            10897
_diffrn_reflns_theta_full        66.30
_diffrn_reflns_theta_max         66.30
_diffrn_reflns_theta_min         3.02
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    0.654
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50517
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear dark red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             608.0
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.240
_refine_diff_density_min         -0.231
_refine_diff_density_rms         0.048
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.2(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         2470
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0600P)²+0.1353P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1050
_refine_ls_wR_factor_ref         0.1092
_reflns_number_gt                2306
_reflns_number_total             2470
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0dt00466a2.cif
_cod_data_source_block           HLc
_cod_depositor_comments
'Adding full bibliography for 7704099--7704110.cif.'
_cod_database_code               7704105
_chemical_oxdiff_formula         'C H N'
_reflns_odcompleteness_completeness 97.96
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B)
2.b Aromatic/amide H refined with riding coordinates:
 N4(H4), C5(H5), C8(H8), C4(H4A), C2(H2), C1(H1), C3(H3), C9(H9), C14(H14),
 C10(H10), C18(H18), C16(H16), C17(H17), C15(H15)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, z+1/2'
3 'x+1/2, -y+1/2, z'
4 '-x+1/2, y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
N1 N 0.27807(5) 0.14296(15) 0.5315(4) 0.0211(4) Uani 1 d . . .
N3 N 0.35859(5) 0.30954(15) 0.1515(4) 0.0216(4) Uani 1 d . . .
N2 N 0.29979(5) 0.23959(17) 0.4424(4) 0.0218(4) Uani 1 d . . .
N4 N 0.41215(6) 0.51183(17) 0.0594(5) 0.0338(5) Uani 1 d . . .
H4 H 0.3919 0.5034 0.1925 0.041 Uiso 1 calc . . R
C6 C 0.24455(6) 0.17124(19) 0.7460(5) 0.0197(4) Uani 1 d . . .
C7 C 0.33366(6) 0.20752(18) 0.2294(5) 0.0210(4) Uani 1 d . . .
C5 C 0.22053(6) 0.06620(19) 0.8498(5) 0.0228(4) Uani 1 d . . .
H5 H 0.2264 -0.0149 0.7755 0.027 Uiso 1 calc . . R
C8 C 0.33985(6) 0.08546(18) 0.1163(4) 0.0214(4) Uani 1 d . . .
H8 H 0.3217 0.0172 0.1757 0.026 Uiso 1 calc . . R
C4 C 0.18798(6) 0.08148(19) 1.0633(5) 0.0238(5) Uani 1 d . . .
H4A H 0.1722 0.0107 1.1334 0.029 Uiso 1 calc . . R
C13 C 0.43527(6) 0.6268(2) 0.0405(5) 0.0250(5) Uani 1 d . . .
C11 C 0.39148(6) 0.29130(19) -0.0455(5) 0.0226(4) Uani 1 d . . .
C2 C 0.20244(6) 0.30833(19) 1.0647(5) 0.0232(5) Uani 1 d . . .
H2 H 0.1959 0.3897 1.1354 0.028 Uiso 1 calc . . R
C1 C 0.23539(6) 0.29379(18) 0.8536(5) 0.0225(4) Uani 1 d . . .
H1 H 0.2512 0.3646 0.7841 0.027 Uiso 1 calc . . R
C3 C 0.17889(6) 0.20290(19) 1.1726(4) 0.0231(4) Uani 1 d . . .
H3 H 0.1572 0.2136 1.3170 0.028 Uiso 1 calc . . R
C9 C 0.37380(6) 0.06854(19) -0.0873(5) 0.0240(5) Uani 1 d . . .
H9 H 0.3789 -0.0118 -0.1677 0.029 Uiso 1 calc . . R
C14 C 0.47262(7) 0.6434(2) -0.1414(5) 0.0275(5) Uani 1 d . . .
H14 H 0.4825 0.5763 -0.2573 0.033 Uiso 1 calc . . R
C10 C 0.40014(6) 0.1724(2) -0.1703(5) 0.0243(5) Uani 1 d . . .
H10 H 0.4232 0.1630 -0.3067 0.029 Uiso 1 calc . . R
C12 C 0.41994(6) 0.40584(19) -0.1303(5) 0.0245(5) Uani 1 d . . .
H12A H 0.4520 0.3828 -0.1254 0.029 Uiso 1 calc . . R
H12B H 0.4124 0.4308 -0.3258 0.029 Uiso 1 calc . . R
C18 C 0.42135(7) 0.7295(2) 0.2134(5) 0.0285(5) Uani 1 d . . .
H18 H 0.3966 0.7197 0.3369 0.034 Uiso 1 calc . . R
C16 C 0.48098(7) 0.8619(2) 0.0208(5) 0.0286(5) Uani 1 d . . .
H16 H 0.4961 0.9401 0.0131 0.034 Uiso 1 calc . . R
C17 C 0.44408(6) 0.8451(2) 0.2021(5) 0.0288(5) Uani 1 d . . .
H17 H 0.4344 0.9125 0.3180 0.035 Uiso 1 calc . . R
C15 C 0.49498(7) 0.7608(2) -0.1486(6) 0.0298(5) Uani 1 d . . .
H15 H 0.5199 0.7713 -0.2704 0.036 Uiso 1 calc . . R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 N1 C6 114.16(16) . . ?
C7 N3 C11 117.52(17) . . ?
N1 N2 C7 112.72(16) . . ?
C13 N4 H4 118.2 . . ?
C13 N4 C12 123.65(19) . . ?
C12 N4 H4 118.2 . . ?
C5 C6 N1 115.25(17) . . ?
C5 C6 C1 120.05(19) . . ?
C1 C6 N1 124.70(17) . . ?
N3 C7 N2 112.07(17) . . ?
N3 C7 C8 123.72(18) . . ?
C8 C7 N2 124.21(17) . . ?
C6 C5 H5 119.8 . . ?
C4 C5 C6 120.41(19) . . ?
C4 C5 H5 119.8 . . ?
C7 C8 H8 121.0 . . ?
C9 C8 C7 117.96(18) . . ?
C9 C8 H8 121.0 . . ?
C5 C4 H4A 120.1 . . ?
C5 C4 C3 119.86(18) . . ?
C3 C4 H4A 120.1 . . ?
N4 C13 C14 122.12(19) . . ?
N4 C13 C18 119.10(19) . . ?
C14 C13 C18 118.77(19) . . ?
N3 C11 C10 122.73(18) . . ?
N3 C11 C12 117.49(18) . . ?
C10 C11 C12 119.78(18) . . ?
C1 C2 H2 119.5 . . ?
C1 C2 C3 120.91(19) . . ?
C3 C2 H2 119.5 . . ?
C6 C1 H1 120.4 . . ?
C2 C1 C6 119.13(18) . . ?
C2 C1 H1 120.4 . . ?
C4 C3 C2 119.63(18) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C8 C9 H9 120.3 . . ?
C8 C9 C10 119.37(19) . . ?
C10 C9 H9 120.3 . . ?
C13 C14 H14 120.2 . . ?
C15 C14 C13 119.6(2) . . ?
C15 C14 H14 120.2 . . ?
C11 C10 H10 120.7 . . ?
C9 C10 C11 118.70(19) . . ?
C9 C10 H10 120.7 . . ?
N4 C12 C11 111.31(17) . . ?
N4 C12 H12A 109.4 . . ?
N4 C12 H12B 109.4 . . ?
C11 C12 H12A 109.4 . . ?
C11 C12 H12B 109.4 . . ?
H12A C12 H12B 108.0 . . ?
C13 C18 H18 119.8 . . ?
C17 C18 C13 120.49(19) . . ?
C17 C18 H18 119.8 . . ?
C17 C16 H16 120.6 . . ?
C15 C16 H16 120.6 . . ?
C15 C16 C17 118.9(2) . . ?
C18 C17 C16 120.8(2) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C14 C15 H15 119.3 . . ?
C16 C15 C14 121.4(2) . . ?
C16 C15 H15 119.3 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
N1 N2 1.262(2) . ?
N1 C6 1.429(2) . ?
N3 C7 1.341(2) . ?
N3 C11 1.342(3) . ?
N2 C7 1.440(2) . ?
N4 H4 0.8600 . ?
N4 C13 1.381(2) . ?
N4 C12 1.432(3) . ?
C6 C5 1.389(3) . ?
C6 C1 1.399(3) . ?
C7 C8 1.390(3) . ?
C5 H5 0.9300 . ?
C5 C4 1.384(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.383(3) . ?
C4 H4A 0.9300 . ?
C4 C3 1.391(3) . ?
C13 C14 1.392(3) . ?
C13 C18 1.400(3) . ?
C11 C10 1.393(3) . ?
C11 C12 1.509(3) . ?
C2 H2 0.9300 . ?
C2 C1 1.384(3) . ?
C2 C3 1.392(3) . ?
C1 H1 0.9300 . ?
C3 H3 0.9300 . ?
C9 H9 0.9300 . ?
C9 C10 1.385(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.389(3) . ?
C10 H10 0.9300 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C18 H18 0.9300 . ?
C18 C17 1.379(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.381(3) . ?
C16 C15 1.379(3) . ?
C17 H17 0.9300 . ?
C15 H15 0.9300 . ?
