#------------------------------------------------------------------------------
#$Date: 2023-11-06 09:43:41 +0200 (Mon, 06 Nov 2023) $
#$Revision: 287355 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/73/7247356.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_7247356
loop_
_publ_author_name
'Gore, Babasaheb Sopan'
'Kuo, Chiao-Ying'
'Wang, Jeh-Jeng'
_publ_section_title
;
 Photocatalyst- and transition-metal-free syntheses of furan-fused
 dihydroazepines by visible light
;
_journal_issue                   20
_journal_name_full               'Green Chemistry'
_journal_page_first              8074
_journal_page_last               8081
_journal_paper_doi               10.1039/D3GC02364H
_journal_volume                  25
_journal_year                    2023
_chemical_formula_moiety         'C35 H32 N2 O'
_chemical_formula_sum            'C35 H32 N2 O'
_chemical_formula_weight         496.62
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-04-28
_audit_creation_method
;
Olex2 1.3-ac4
(compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739)
;
_audit_update_record
;
2023-06-29 deposited with the CCDC.	2023-08-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.405(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.9969(6)
_cell_length_b                   12.1767(6)
_cell_length_c                   18.3724(11)
_cell_measurement_reflns_used    8272
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      26.8340
_cell_measurement_theta_min      1.8510
_cell_volume                     2610.8(2)
_computing_cell_refinement       'CrysAlisPro 1.171.41.56a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.56a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.56a (Rigaku OD, 2020)'
_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    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -22.00  80.00   0.50   35.33    --   10.60  54.00-148.00  204
  2  ω    -24.00   7.00   0.50   35.33    --   10.60 -54.00  67.00   62
  3  ω     -5.00  27.00   0.50   35.33    --  -10.90  54.00-148.00   64
  4  ω    -45.00 -19.00   0.50   35.33    --  -10.90 -54.00  67.00   52
  5  ω      3.00  29.00   0.50   35.33    --   10.60  77.00 -60.00   52
  6  ω    -12.00 100.00   0.50   35.33    --   10.60  77.00 -90.00  224
  7  ω     -4.00  81.00   0.50   35.33    --   10.60  77.00 120.00  170
  8  ω     68.00  94.00   0.50   35.33    --   10.60  77.00 -60.00   52
  9  ω    -20.00 100.00   0.50   35.33    --   10.60  57.00 -90.00  240
 10  ω     70.00  96.00   0.50   35.33    --   10.60  77.00 -30.00   52
 11  ω    -36.00  76.00   0.50   35.33    --  -10.90  77.00 -30.00  224
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Pro II AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0417797000
_diffrn_orient_matrix_UB_12      -0.0160140000
_diffrn_orient_matrix_UB_13      0.0196228000
_diffrn_orient_matrix_UB_21      -0.0031277000
_diffrn_orient_matrix_UB_22      -0.0527423000
_diffrn_orient_matrix_UB_23      -0.0167653000
_diffrn_orient_matrix_UB_31      0.0440730000
_diffrn_orient_matrix_UB_32      -0.0188402000
_diffrn_orient_matrix_UB_33      0.0301314000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0796
_diffrn_reflns_av_unetI/netI     0.0654
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28253
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        24.995
_diffrn_reflns_theta_max         24.995
_diffrn_reflns_theta_min         2.024
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.42265
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.56a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.263
_exptl_crystal_description       plate
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.423
_refine_diff_density_min         -0.249
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         4594
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0842
_refine_ls_R_factor_gt           0.0590
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0913P)²+0.6101P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1574
_refine_ls_wR_factor_ref         0.1723
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3329
_reflns_number_total             4594
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3gc02364h2.cif
_cod_data_source_block           k11104-jjw-c(nc-en-12)
_cod_depositor_comments
'Adding full bibliography for 7247352--7247359.cif.'
_cod_database_code               7247356
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C N O H'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_diffrn_oxdiff_digest_frames
;
0121bf957a523d67ac758c0c07c3b8505700025d594
;
_diffrn_oxdiff_digest_hkl
;
012fc926fc7b1d9e98f0c7f59199b2b7b1afc7
;
_reflns_odcompleteness_completeness 99.36
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
N1 \\sim N2 \\sim O1: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
3.a Ternary CH refined with riding coordinates:
 C19(H19), C28(H28), C30(H30), C32(H32)
3.b Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B), C27(H27A,H27B), C29(H29A,H29B), C31(H31A,H31B), C33(H33A,
 H33B), C34(H34A,H34B), C35(H35A,H35B)
3.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8), C9(H9), C10(H10), C13(H13), C14(H14), C15(H15),
 C16(H16), C21(H21), C22(H22), C23(H23), C24(H24), C25(H25)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.937
_oxdiff_exptl_absorpt_empirical_full_min 0.439
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.27324(12) 0.53643(12) 0.56074(8) 0.0243(4) Uani 1 1 d . U . . .
N1 N 0.37024(15) 0.39657(14) 0.63892(10) 0.0240(5) Uani 1 1 d . U . . .
N2 N -0.06292(18) 0.65448(18) 0.63227(12) 0.0411(6) Uani 1 1 d . U . . .
C1 C 0.17420(18) 0.59617(17) 0.55053(13) 0.0241(5) Uani 1 1 d . . . . .
C2 C 0.11869(17) 0.56713(18) 0.60484(13) 0.0246(5) Uani 1 1 d . . . . .
C3 C 0.18427(17) 0.48283(18) 0.64979(12) 0.0242(5) Uani 1 1 d . . . . .
C4 C 0.27733(18) 0.46640(18) 0.62110(12) 0.0224(5) Uani 1 1 d . . . . .
C5 C 0.15505(18) 0.67613(18) 0.48986(13) 0.0254(5) Uani 1 1 d . . . . .
C6 C 0.0665(2) 0.75284(19) 0.48123(14) 0.0318(6) Uani 1 1 d . . . . .
H6 H 0.016829 0.751224 0.513251 0.038 Uiso 1 1 calc R . . . .
C7 C 0.0521(2) 0.83182(19) 0.42497(14) 0.0343(6) Uani 1 1 d . . . . .
H7 H -0.006707 0.883036 0.419815 0.041 Uiso 1 1 calc R . . . .
C8 C 0.1247(2) 0.8342(2) 0.37705(14) 0.0343(6) Uani 1 1 d . . . . .
H8 H 0.116356 0.888261 0.340436 0.041 Uiso 1 1 calc R . . . .
C9 C 0.2101(2) 0.7563(2) 0.38323(15) 0.0367(6) Uani 1 1 d . . . . .
H9 H 0.257306 0.756374 0.349569 0.044 Uiso 1 1 calc R . . . .
C10 C 0.2256(2) 0.6783(2) 0.43932(14) 0.0328(6) Uani 1 1 d . . . . .
H10 H 0.283857 0.626657 0.443415 0.039 Uiso 1 1 calc R . . . .
C11 C 0.01679(19) 0.61544(19) 0.61855(13) 0.0283(6) Uani 1 1 d . . . . .
C12 C 0.16512(18) 0.42127(18) 0.71458(13) 0.0231(5) Uani 1 1 d . . . . .
C13 C 0.05846(19) 0.37824(19) 0.71682(13) 0.0281(6) Uani 1 1 d . . . . .
H13 H -0.005389 0.393973 0.678712 0.034 Uiso 1 1 calc R . . . .
C14 C 0.0479(2) 0.31171(19) 0.77623(14) 0.0315(6) Uani 1 1 d . . . . .
H14 H -0.023015 0.281991 0.777581 0.038 Uiso 1 1 calc R . . . .
C15 C 0.1420(2) 0.2897(2) 0.83308(14) 0.0319(6) Uani 1 1 d . . . . .
H15 H 0.134885 0.244311 0.872469 0.038 Uiso 1 1 calc R . . . .
C16 C 0.2477(2) 0.33505(19) 0.83175(13) 0.0293(6) Uani 1 1 d . . . . .
H16 H 0.310503 0.320726 0.870939 0.035 Uiso 1 1 calc R . . . .
C17 C 0.26121(18) 0.40066(18) 0.77366(13) 0.0257(5) Uani 1 1 d . . . . .
C18 C 0.37625(18) 0.45125(19) 0.77186(13) 0.0282(6) Uani 1 1 d . . . . .
H18A H 0.425546 0.448311 0.821784 0.034 Uiso 1 1 calc R . . . .
H18B H 0.364774 0.527956 0.757889 0.034 Uiso 1 1 calc R . . . .
C19 C 0.43677(18) 0.39456(18) 0.71763(12) 0.0245(5) Uani 1 1 d . . . . .
H19 H 0.445545 0.317197 0.732573 0.029 Uiso 1 1 calc R . . . .
C20 C 0.55688(18) 0.43999(18) 0.72455(13) 0.0243(5) Uani 1 1 d . . . . .
C21 C 0.5786(2) 0.5261(2) 0.67992(13) 0.0318(6) Uani 1 1 d . . . . .
H21 H 0.518925 0.555821 0.643790 0.038 Uiso 1 1 calc R . . . .
C22 C 0.6876(2) 0.5675(2) 0.68876(14) 0.0392(7) Uani 1 1 d . . . . .
H22 H 0.700839 0.625460 0.658877 0.047 Uiso 1 1 calc R . . . .
C23 C 0.7789(2) 0.5231(2) 0.74242(14) 0.0363(6) Uani 1 1 d . . . . .
H23 H 0.852560 0.551223 0.748305 0.044 Uiso 1 1 calc R . . . .
C24 C 0.75864(19) 0.4384(2) 0.78579(14) 0.0337(6) Uani 1 1 d . . . . .
H24 H 0.818780 0.408364 0.821497 0.040 Uiso 1 1 calc R . . . .
C25 C 0.64810(18) 0.39602(19) 0.77711(13) 0.0295(6) Uani 1 1 d . . . . .
H25 H 0.635482 0.337707 0.806890 0.035 Uiso 1 1 calc R . . . .
C26 C 0.36238(18) 0.29105(18) 0.59631(12) 0.0233(5) Uani 1 1 d . . . . .
C27 C 0.28420(19) 0.20738(19) 0.62308(14) 0.0285(6) Uani 1 1 d . . . . .
H27A H 0.207810 0.237775 0.616730 0.034 Uiso 1 1 calc R . . . .
H27B H 0.313902 0.191918 0.675815 0.034 Uiso 1 1 calc R . . . .
C28 C 0.27879(19) 0.10036(19) 0.57754(14) 0.0309(6) Uani 1 1 d . . . . .
H28 H 0.229259 0.047306 0.594921 0.037 Uiso 1 1 calc R . . . .
C29 C 0.2312(2) 0.1235(2) 0.49469(14) 0.0328(6) Uani 1 1 d . . . . .
H29A H 0.153924 0.152271 0.486884 0.039 Uiso 1 1 calc R . . . .
H29B H 0.228374 0.056028 0.466302 0.039 Uiso 1 1 calc R . . . .
C30 C 0.3078(2) 0.2070(2) 0.46776(13) 0.0300(6) Uani 1 1 d . . . . .
H30 H 0.276532 0.222556 0.414605 0.036 Uiso 1 1 calc R . . . .
C31 C 0.4283(2) 0.1593(2) 0.47827(14) 0.0343(6) Uani 1 1 d . . . . .
H31A H 0.477298 0.211182 0.460438 0.041 Uiso 1 1 calc R . . . .
H31B H 0.425511 0.092084 0.449555 0.041 Uiso 1 1 calc R . . . .
C32 C 0.47719(19) 0.13536(19) 0.56152(14) 0.0296(6) Uani 1 1 d . . . . .
H32 H 0.554289 0.104252 0.568527 0.036 Uiso 1 1 calc R . . . .
C33 C 0.48287(18) 0.24201(18) 0.60541(14) 0.0276(6) Uani 1 1 d . . . . .
H33A H 0.531628 0.294086 0.587555 0.033 Uiso 1 1 calc R . . . .
H33B H 0.516036 0.228018 0.657946 0.033 Uiso 1 1 calc R . . . .
C34 C 0.3130(2) 0.31374(18) 0.51278(13) 0.0278(6) Uani 1 1 d . . . . .
H34A H 0.236618 0.344462 0.505753 0.033 Uiso 1 1 calc R . . . .
H34B H 0.360734 0.366846 0.494945 0.033 Uiso 1 1 calc R . . . .
C35 C 0.3988(2) 0.05298(19) 0.58868(15) 0.0331(6) Uani 1 1 d . . . . .
H35A H 0.395929 -0.015103 0.560898 0.040 Uiso 1 1 calc R . . . .
H35B H 0.429257 0.037007 0.641264 0.040 Uiso 1 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 0.0033 0.0016 '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 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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
C1 O1 C4 107.71(16) . . ?
C4 N1 C19 117.69(17) . . ?
C4 N1 C26 117.11(17) . . ?
C19 N1 C26 116.80(16) . . ?
O1 C1 C5 115.97(18) . . ?
C2 C1 O1 108.45(19) . . ?
C2 C1 C5 135.49(19) . . ?
C1 C2 C3 108.08(18) . . ?
C1 C2 C11 127.0(2) . . ?
C11 C2 C3 124.8(2) . . ?
C2 C3 C12 131.63(19) . . ?
C4 C3 C2 105.86(19) . . ?
C4 C3 C12 122.5(2) . . ?
N1 C4 O1 116.38(17) . . ?
C3 C4 O1 109.85(18) . . ?
C3 C4 N1 133.8(2) . . ?
C6 C5 C1 121.0(2) . . ?
C10 C5 C1 120.6(2) . . ?
C10 C5 C6 118.4(2) . . ?
C7 C6 C5 120.5(2) . . ?
C8 C7 C6 120.1(2) . . ?
C7 C8 C9 120.1(2) . . ?
C8 C9 C10 120.1(2) . . ?
C9 C10 C5 120.8(2) . . ?
N2 C11 C2 177.5(3) . . ?
C13 C12 C3 122.2(2) . . ?
C13 C12 C17 120.2(2) . . ?
C17 C12 C3 117.44(19) . . ?
C14 C13 C12 119.7(2) . . ?
C15 C14 C13 120.1(2) . . ?
C14 C15 C16 120.1(2) . . ?
C17 C16 C15 121.2(2) . . ?
C12 C17 C18 119.7(2) . . ?
C16 C17 C12 118.6(2) . . ?
C16 C17 C18 121.6(2) . . ?
C17 C18 C19 113.75(19) . . ?
N1 C19 C18 113.54(18) . . ?
N1 C19 C20 111.18(17) . . ?
C20 C19 C18 111.44(18) . . ?
C21 C20 C19 121.9(2) . . ?
C25 C20 C19 119.8(2) . . ?
C25 C20 C21 118.3(2) . . ?
C22 C21 C20 120.6(2) . . ?
C21 C22 C23 120.5(2) . . ?
C24 C23 C22 119.2(2) . . ?
C23 C24 C25 120.5(2) . . ?
C20 C25 C24 120.8(2) . . ?
N1 C26 C27 111.72(17) . . ?
N1 C26 C33 109.46(17) . . ?
N1 C26 C34 109.33(17) . . ?
C33 C26 C27 109.58(18) . . ?
C34 C26 C27 108.38(18) . . ?
C34 C26 C33 108.29(18) . . ?
C26 C27 C28 109.74(18) . . ?
C29 C28 C27 110.15(19) . . ?
C35 C28 C27 109.17(19) . . ?
C35 C28 C29 109.20(19) . . ?
C28 C29 C30 109.45(19) . . ?
C29 C30 C31 109.2(2) . . ?
C29 C30 C34 109.95(18) . . ?
C31 C30 C34 109.56(19) . . ?
C30 C31 C32 109.26(19) . . ?
C31 C32 C35 109.08(19) . . ?
C33 C32 C31 109.04(19) . . ?
C33 C32 C35 109.92(18) . . ?
C32 C33 C26 110.40(18) . . ?
C30 C34 C26 110.13(18) . . ?
C28 C35 C32 109.91(19) . . ?
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
O1 C1 1.368(2) . ?
O1 C4 1.391(3) . ?
N1 C4 1.380(3) . ?
N1 C19 1.481(3) . ?
N1 C26 1.496(3) . ?
N2 C11 1.147(3) . ?
C1 C2 1.368(3) . ?
C1 C5 1.458(3) . ?
C2 C3 1.433(3) . ?
C2 C11 1.431(3) . ?
C3 C4 1.355(3) . ?
C3 C12 1.469(3) . ?
C5 C6 1.395(3) . ?
C5 C10 1.394(3) . ?
C6 C7 1.393(3) . ?
C7 C8 1.375(3) . ?
C8 C9 1.381(3) . ?
C9 C10 1.382(3) . ?
C12 C13 1.392(3) . ?
C12 C17 1.411(3) . ?
C13 C14 1.389(3) . ?
C14 C15 1.375(3) . ?
C15 C16 1.388(3) . ?
C16 C17 1.372(3) . ?
C17 C18 1.519(3) . ?
C18 C19 1.527(3) . ?
C19 C20 1.521(3) . ?
C20 C21 1.392(3) . ?
C20 C25 1.388(3) . ?
C21 C22 1.376(3) . ?
C22 C23 1.401(3) . ?
C23 C24 1.360(3) . ?
C24 C25 1.397(3) . ?
C26 C27 1.541(3) . ?
C26 C33 1.537(3) . ?
C26 C34 1.537(3) . ?
C27 C28 1.542(3) . ?
C28 C29 1.523(3) . ?
C28 C35 1.520(3) . ?
C29 C30 1.527(3) . ?
C30 C31 1.529(3) . ?
C30 C34 1.534(3) . ?
C31 C32 1.534(3) . ?
C32 C33 1.522(3) . ?
C32 C35 1.536(3) . ?
