#------------------------------------------------------------------------------
#$Date: 2020-10-06 14:25:33 +0300 (Tue, 06 Oct 2020) $
#$Revision: 258028 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/07/7240750.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_7240750
loop_
_publ_author_name
'Liu, Xiao-Jing'
'Gao, Guan-Lei'
'Jiang, Hao'
'Jia, Yan-Rong'
'Xia, Min'
_publ_section_title
;
 Deep insight into reasons for the mechanoluminescence phenomenon of
 triphenylamine-substituted imidazoles and their distinct
 mechano-fluorochromic behaviours
;
_journal_issue                   39
_journal_name_full               'RSC Advances'
_journal_page_first              23187
_journal_page_last               23195
_journal_paper_doi               10.1039/D0RA02737E
_journal_volume                  10
_journal_year                    2020
_chemical_formula_moiety         'C40 H28 N4'
_chemical_formula_sum            'C40 H28 N4'
_chemical_formula_weight         564.66
_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             2019-09-18
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-10-14 deposited with the CCDC.	2020-05-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.3000(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.9738(4)
_cell_length_b                   9.4252(2)
_cell_length_c                   22.9485(6)
_cell_measurement_reflns_used    9886
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      26.70
_cell_measurement_theta_min      2.81
_cell_volume                     2953.07(13)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_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      170.0
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_av_unetI/netI     0.0236
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            40286
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.739
_diffrn_reflns_theta_min         2.344
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.075
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.7084
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1291 before and 0.0493 after correction.
The Ratio of minimum to maximum transmission is 0.9504.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.270
_exptl_crystal_description       needle
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.205
_refine_diff_density_min         -0.240
_refine_diff_density_rms         0.038
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         6266
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0463
_refine_ls_R_factor_gt           0.0375
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0354P)²+1.0432P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0861
_refine_ls_wR_factor_ref         0.0923
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5329
_reflns_number_total             6266
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ra02737e2.cif
_cod_data_source_block           190918_xm190918_2_0m
_cod_depositor_comments
'Adding full bibliography for 7240750--7240752.cif.'
_cod_database_code               7240750
_shelx_shelxl_version_number     2016/6
_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.
;
_shelx_estimated_absorpt_t_max   0.990
_shelx_estimated_absorpt_t_min   0.964
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C5(H5), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C17(H17), C18(H18), C20(H20), C21(H21), C24(H24), C25(H25),
  C27(H27), C28(H28), C30(H30), C31(H31), C32(H32), C33(H33), C34(H34),
 C36(H36), C37(H37), C38(H38), C39(H39), C40(H40)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
N1 N 0.50100(7) 0.40091(10) 0.85398(4) 0.0252(2) Uani 1 1 d . . . . .
N2 N 0.48724(7) 0.42227(10) 0.75600(4) 0.0236(2) Uani 1 1 d . . . . .
N3 N 0.69386(9) -0.33789(12) 0.80794(5) 0.0404(3) Uani 1 1 d . . . . .
N4 N 0.52951(7) 0.27085(12) 0.52501(4) 0.0290(2) Uani 1 1 d . . . . .
C1 C 0.41824(11) 0.57317(15) 0.93501(6) 0.0388(3) Uani 1 1 d . . . . .
H1 H 0.433952 0.476957 0.945087 0.047 Uiso 1 1 calc R . . . .
C2 C 0.39095(13) 0.66189(17) 0.97676(6) 0.0490(4) Uani 1 1 d . . . . .
H2 H 0.387654 0.625953 1.014956 0.059 Uiso 1 1 calc R . . . .
C3 C 0.36850(12) 0.80229(16) 0.96311(7) 0.0451(4) Uani 1 1 d . . . . .
H3 H 0.350227 0.863442 0.991798 0.054 Uiso 1 1 calc R . . . .
C4 C 0.37294(12) 0.85273(15) 0.90732(7) 0.0437(3) Uani 1 1 d . . . . .
H4 H 0.357596 0.949237 0.897628 0.052 Uiso 1 1 calc R . . . .
C5 C 0.39951(10) 0.76418(14) 0.86528(6) 0.0357(3) Uani 1 1 d . . . . .
H5 H 0.401705 0.800486 0.826964 0.043 Uiso 1 1 calc R . . . .
C6 C 0.42305(8) 0.62259(13) 0.87848(5) 0.0265(2) Uani 1 1 d . . . . .
C7 C 0.45406(8) 0.52634(12) 0.83528(5) 0.0241(2) Uani 1 1 d . . . . .
C8 C 0.44350(8) 0.54127(12) 0.77447(5) 0.0237(2) Uani 1 1 d . . . . .
C9 C 0.39190(9) 0.65109(13) 0.73358(5) 0.0261(2) Uani 1 1 d . . . . .
C10 C 0.29036(10) 0.66180(15) 0.72545(6) 0.0357(3) Uani 1 1 d . . . . .
H10 H 0.255042 0.591796 0.741977 0.043 Uiso 1 1 calc R . . . .
C11 C 0.24071(11) 0.77369(17) 0.69348(7) 0.0444(4) Uani 1 1 d . . . . .
H11 H 0.171545 0.780128 0.688157 0.053 Uiso 1 1 calc R . . . .
C12 C 0.29142(11) 0.87617(16) 0.66924(6) 0.0427(3) Uani 1 1 d . . . . .
H12 H 0.257336 0.953799 0.647914 0.051 Uiso 1 1 calc R . . . .
C13 C 0.39189(11) 0.86530(14) 0.67616(6) 0.0375(3) Uani 1 1 d . . . . .
H13 H 0.426747 0.935293 0.659293 0.045 Uiso 1 1 calc R . . . .
C14 C 0.44203(9) 0.75256(13) 0.70763(5) 0.0304(3) Uani 1 1 d . . . . .
H14 H 0.510867 0.744597 0.711476 0.037 Uiso 1 1 calc R . . . .
C15 C 0.52013(8) 0.34058(12) 0.80584(5) 0.0235(2) Uani 1 1 d . . . . .
C16 C 0.56412(8) 0.19849(12) 0.80656(5) 0.0246(2) Uani 1 1 d . . . . .
C17 C 0.61981(9) 0.15304(13) 0.76628(5) 0.0283(3) Uani 1 1 d . . . . .
H17 H 0.632439 0.216608 0.736680 0.034 Uiso 1 1 calc R . . . .
C18 C 0.65679(9) 0.01650(13) 0.76900(5) 0.0298(3) Uani 1 1 d . . . . .
H18 H 0.693967 -0.013595 0.741085 0.036 Uiso 1 1 calc R . . . .
C19 C 0.63955(9) -0.07661(13) 0.81256(5) 0.0281(3) Uani 1 1 d . . . . .
C20 C 0.58798(9) -0.03078(14) 0.85482(6) 0.0318(3) Uani 1 1 d . . . . .
H20 H 0.578771 -0.092782 0.885795 0.038 Uiso 1 1 calc R . . . .
C21 C 0.55038(9) 0.10514(13) 0.85142(5) 0.0298(3) Uani 1 1 d . . . . .
H21 H 0.514631 0.135722 0.880001 0.036 Uiso 1 1 calc R . . . .
C22 C 0.67116(9) -0.22207(14) 0.81137(6) 0.0315(3) Uani 1 1 d . . . . .
C23 C 0.49381(8) 0.38985(12) 0.69565(5) 0.0229(2) Uani 1 1 d . . . . .
C24 C 0.42834(9) 0.29578(13) 0.66174(5) 0.0261(2) Uani 1 1 d . . . . .
H24 H 0.375544 0.258600 0.677114 0.031 Uiso 1 1 calc R . . . .
C25 C 0.43979(9) 0.25590(13) 0.60546(5) 0.0270(2) Uani 1 1 d . . . . .
H25 H 0.395135 0.190479 0.582752 0.032 Uiso 1 1 calc R . . . .
C26 C 0.51645(8) 0.31096(12) 0.58169(5) 0.0241(2) Uani 1 1 d . . . . .
C27 C 0.58079(8) 0.40810(12) 0.61617(5) 0.0248(2) Uani 1 1 d . . . . .
H27 H 0.632748 0.447647 0.600679 0.030 Uiso 1 1 calc R . . . .
C28 C 0.56945(8) 0.44698(12) 0.67246(5) 0.0246(2) Uani 1 1 d . . . . .
H28 H 0.613508 0.512904 0.695311 0.030 Uiso 1 1 calc R . . . .
C29 C 0.45019(9) 0.22588(12) 0.47893(5) 0.0251(2) Uani 1 1 d . . . . .
C30 C 0.35872(9) 0.29054(13) 0.46997(5) 0.0298(3) Uani 1 1 d . . . . .
H30 H 0.347247 0.364572 0.495730 0.036 Uiso 1 1 calc R . . . .
C31 C 0.28439(10) 0.24670(15) 0.42338(6) 0.0342(3) Uani 1 1 d . . . . .
H31 H 0.221759 0.290158 0.417801 0.041 Uiso 1 1 calc R . . . .
C32 C 0.30012(10) 0.14062(15) 0.38490(6) 0.0356(3) Uani 1 1 d . . . . .
H32 H 0.248990 0.111935 0.352782 0.043 Uiso 1 1 calc R . . . .
C33 C 0.39116(10) 0.07673(14) 0.39373(6) 0.0339(3) Uani 1 1 d . . . . .
H33 H 0.402639 0.004065 0.367353 0.041 Uiso 1 1 calc R . . . .
C34 C 0.46566(9) 0.11771(13) 0.44062(5) 0.0289(3) Uani 1 1 d . . . . .
H34 H 0.527561 0.071929 0.446710 0.035 Uiso 1 1 calc R . . . .
C35 C 0.62351(9) 0.28278(13) 0.50985(5) 0.0263(2) Uani 1 1 d . . . . .
C36 C 0.63189(10) 0.35686(13) 0.45888(6) 0.0321(3) Uani 1 1 d . . . . .
H36 H 0.576106 0.402065 0.435287 0.039 Uiso 1 1 calc R . . . .
C37 C 0.72103(11) 0.36491(16) 0.44245(6) 0.0417(3) Uani 1 1 d . . . . .
H37 H 0.726295 0.415242 0.407407 0.050 Uiso 1 1 calc R . . . .
C38 C 0.80273(11) 0.30031(17) 0.47658(7) 0.0444(4) Uani 1 1 d . . . . .
H38 H 0.864170 0.306842 0.465303 0.053 Uiso 1 1 calc R . . . .
C39 C 0.79462(10) 0.22617(16) 0.52718(7) 0.0409(3) Uani 1 1 d . . . . .
H39 H 0.850632 0.181244 0.550657 0.049 Uiso 1 1 calc R . . . .
C40 C 0.70468(9) 0.21688(14) 0.54403(6) 0.0333(3) Uani 1 1 d . . . . .
H40 H 0.699246 0.165534 0.578800 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'
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
C15 N1 C7 106.11(9) . . ?
C8 N2 C23 126.04(9) . . ?
C15 N2 C8 106.85(9) . . ?
C15 N2 C23 127.09(9) . . ?
C26 N4 C29 122.29(10) . . ?
C26 N4 C35 120.71(9) . . ?
C29 N4 C35 116.87(9) . . ?
C2 C1 H1 119.4 . . ?
C2 C1 C6 121.15(13) . . ?
C6 C1 H1 119.4 . . ?
C1 C2 H2 119.9 . . ?
C3 C2 C1 120.30(13) . . ?
C3 C2 H2 119.9 . . ?
C2 C3 H3 120.4 . . ?
C4 C3 C2 119.20(13) . . ?
C4 C3 H3 120.4 . . ?
C3 C4 H4 119.6 . . ?
C3 C4 C5 120.71(13) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 H5 119.6 . . ?
C4 C5 C6 120.80(12) . . ?
C6 C5 H5 119.6 . . ?
C1 C6 C7 119.96(11) . . ?
C5 C6 C1 117.84(11) . . ?
C5 C6 C7 122.19(11) . . ?
N1 C7 C6 120.51(10) . . ?
N1 C7 C8 110.15(10) . . ?
C8 C7 C6 129.34(11) . . ?
N2 C8 C9 124.04(10) . . ?
C7 C8 N2 105.54(10) . . ?
C7 C8 C9 130.29(10) . . ?
C10 C9 C8 118.72(11) . . ?
C14 C9 C8 122.07(11) . . ?
C14 C9 C10 118.90(11) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.46(13) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.24(13) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 H12 120.1 . . ?
C13 C12 C11 119.79(13) . . ?
C13 C12 H12 120.1 . . ?
C12 C13 H13 119.9 . . ?
C12 C13 C14 120.27(13) . . ?
C14 C13 H13 119.9 . . ?
C9 C14 H14 119.9 . . ?
C13 C14 C9 120.29(12) . . ?
C13 C14 H14 119.9 . . ?
N1 C15 N2 111.34(10) . . ?
N1 C15 C16 122.77(10) . . ?
N2 C15 C16 125.72(10) . . ?
C17 C16 C15 124.18(11) . . ?
C17 C16 C21 118.53(11) . . ?
C21 C16 C15 117.27(10) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 C16 120.73(11) . . ?
C18 C17 H17 119.6 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 119.99(11) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 C20 119.95(11) . . ?
C18 C19 C22 119.08(11) . . ?
C20 C19 C22 120.89(11) . . ?
C19 C20 H20 120.2 . . ?
C21 C20 C19 119.68(12) . . ?
C21 C20 H20 120.2 . . ?
C16 C21 H21 119.5 . . ?
C20 C21 C16 121.01(11) . . ?
C20 C21 H21 119.5 . . ?
N3 C22 C19 177.01(14) . . ?
C24 C23 N2 120.36(10) . . ?
C24 C23 C28 119.83(10) . . ?
C28 C23 N2 119.71(10) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 C23 120.16(11) . . ?
C25 C24 H24 119.9 . . ?
C24 C25 H25 119.6 . . ?
C24 C25 C26 120.77(11) . . ?
C26 C25 H25 119.6 . . ?
N4 C26 C27 120.28(10) . . ?
C25 C26 N4 121.48(10) . . ?
C25 C26 C27 118.25(10) . . ?
C26 C27 H27 119.6 . . ?
C28 C27 C26 120.80(11) . . ?
C28 C27 H27 119.6 . . ?
C23 C28 H28 119.9 . . ?
C27 C28 C23 120.17(11) . . ?
C27 C28 H28 119.9 . . ?
C30 C29 N4 121.66(11) . . ?
C30 C29 C34 119.24(11) . . ?
C34 C29 N4 119.06(11) . . ?
C29 C30 H30 120.1 . . ?
C31 C30 C29 119.84(11) . . ?
C31 C30 H30 120.1 . . ?
C30 C31 H31 119.5 . . ?
C32 C31 C30 120.91(12) . . ?
C32 C31 H31 119.5 . . ?
C31 C32 H32 120.4 . . ?
C31 C32 C33 119.21(12) . . ?
C33 C32 H32 120.4 . . ?
C32 C33 H33 119.7 . . ?
C32 C33 C34 120.58(12) . . ?
C34 C33 H33 119.7 . . ?
C29 C34 H34 119.9 . . ?
C33 C34 C29 120.21(12) . . ?
C33 C34 H34 119.9 . . ?
C36 C35 N4 119.35(11) . . ?
C40 C35 N4 120.74(11) . . ?
C40 C35 C36 119.86(12) . . ?
C35 C36 H36 120.0 . . ?
C37 C36 C35 120.10(13) . . ?
C37 C36 H36 120.0 . . ?
C36 C37 H37 119.8 . . ?
C36 C37 C38 120.46(13) . . ?
C38 C37 H37 119.8 . . ?
C37 C38 H38 120.2 . . ?
C39 C38 C37 119.61(13) . . ?
C39 C38 H38 120.2 . . ?
C38 C39 H39 119.8 . . ?
C38 C39 C40 120.36(13) . . ?
C40 C39 H39 119.8 . . ?
C35 C40 C39 119.60(13) . . ?
C35 C40 H40 120.2 . . ?
C39 C40 H40 120.2 . . ?
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 C7 1.3755(15) . ?
N1 C15 1.3194(14) . ?
N2 C8 1.3863(14) . ?
N2 C15 1.3742(14) . ?
N2 C23 1.4401(14) . ?
N3 C22 1.1442(17) . ?
N4 C26 1.4034(14) . ?
N4 C29 1.4237(14) . ?
N4 C35 1.4331(15) . ?
C1 H1 0.9500 . ?
C1 C2 1.3850(19) . ?
C1 C6 1.3934(17) . ?
C2 H2 0.9500 . ?
C2 C3 1.381(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.380(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.3848(18) . ?
C5 H5 0.9500 . ?
C5 C6 1.3923(18) . ?
C6 C7 1.4753(16) . ?
C7 C8 1.3787(16) . ?
C8 C9 1.4777(16) . ?
C9 C10 1.3948(17) . ?
C9 C14 1.3921(17) . ?
C10 H10 0.9500 . ?
C10 C11 1.3839(19) . ?
C11 H11 0.9500 . ?
C11 C12 1.383(2) . ?
C12 H12 0.9500 . ?
C12 C13 1.383(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.3878(18) . ?
C14 H14 0.9500 . ?
C15 C16 1.4722(16) . ?
C16 C17 1.3964(16) . ?
C16 C21 1.3982(17) . ?
C17 H17 0.9500 . ?
C17 C18 1.3833(17) . ?
C18 H18 0.9500 . ?
C18 C19 1.3893(17) . ?
C19 C20 1.3942(17) . ?
C19 C22 1.4424(17) . ?
C20 H20 0.9500 . ?
C20 C21 1.3806(18) . ?
C21 H21 0.9500 . ?
C23 C24 1.3876(16) . ?
C23 C28 1.3892(16) . ?
C24 H24 0.9500 . ?
C24 C25 1.3867(16) . ?
C25 H25 0.9500 . ?
C25 C26 1.4012(17) . ?
C26 C27 1.4033(16) . ?
C27 H27 0.9500 . ?
C27 C28 1.3841(16) . ?
C28 H28 0.9500 . ?
C29 C30 1.3912(17) . ?
C29 C34 1.3930(16) . ?
C30 H30 0.9500 . ?
C30 C31 1.3854(17) . ?
C31 H31 0.9500 . ?
C31 C32 1.3821(19) . ?
C32 H32 0.9500 . ?
C32 C33 1.3829(19) . ?
C33 H33 0.9500 . ?
C33 C34 1.3833(17) . ?
C34 H34 0.9500 . ?
C35 C36 1.3886(17) . ?
C35 C40 1.3815(18) . ?
C36 H36 0.9500 . ?
C36 C37 1.3781(19) . ?
C37 H37 0.9500 . ?
C37 C38 1.381(2) . ?
C38 H38 0.9500 . ?
C38 C39 1.380(2) . ?
C39 H39 0.9500 . ?
C39 C40 1.3941(19) . ?
C40 H40 0.9500 . ?
