#------------------------------------------------------------------------------
#$Date: 2020-10-06 14:25:33 +0300 (Tue, 06 Oct 2020) $
#$Revision: 258028 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/07/7240751.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_7240751
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 H26 N4'
_chemical_formula_sum            'C40 H26 N4'
_chemical_formula_weight         562.65
_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                 101.4250(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.0705(4)
_cell_length_b                   9.7279(3)
_cell_length_c                   22.9944(7)
_cell_measurement_reflns_used    9899
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      27.04
_cell_measurement_theta_min      2.63
_cell_volume                     2865.77(15)
_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 0.999
_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  0.0422
_diffrn_reflns_av_unetI/netI     0.0328
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            27224
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.111
_diffrn_reflns_theta_min         2.280
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.077
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6506
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1720 before and 0.0955 after correction.
The Ratio of minimum to maximum transmission is 0.8727.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'light yellow'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.304
_exptl_crystal_description       block
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.207
_refine_diff_density_min         -0.251
_refine_diff_density_rms         0.040
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         6322
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0415
_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)+(0.0455P)²+1.0180P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1001
_refine_ls_wR_factor_ref         0.1079
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5201
_reflns_number_total             6322
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ra02737e2.cif
_cod_data_source_block           190918_xm190918_1_0m
_cod_depositor_comments
'Adding full bibliography for 7240750--7240752.cif.'
_cod_database_code               7240751
_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   0.992
_shelx_estimated_absorpt_t_min   0.970
_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), 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 0.52151(8) 0.36558(12) 0.14577(4) 0.0269(2) Uani 1 1 d . . . . .
N2 N 0.52145(8) 0.40785(11) 0.24161(4) 0.0247(2) Uani 1 1 d . . . . .
N3 N 0.31877(10) -0.34438(14) 0.19893(6) 0.0412(3) Uani 1 1 d . . . . .
N4 N 0.45949(9) 0.28054(14) 0.47150(5) 0.0329(3) Uani 1 1 d . . . . .
C1 C 0.59419(11) 0.55977(15) 0.06179(6) 0.0303(3) Uani 1 1 d . . . . .
H1 H 0.573109 0.470941 0.046893 0.036 Uiso 1 1 calc R . . . .
C2 C 0.62243(12) 0.65680(16) 0.02446(6) 0.0361(3) Uani 1 1 d . . . . .
H2 H 0.621271 0.635252 -0.015962 0.043 Uiso 1 1 calc R . . . .
C3 C 0.65288(12) 0.78751(16) 0.04659(6) 0.0360(3) Uani 1 1 d . . . . .
H3 H 0.669788 0.856267 0.020712 0.043 Uiso 1 1 calc R . . . .
C4 C 0.65849(11) 0.81709(15) 0.10554(6) 0.0325(3) Uani 1 1 d . . . . .
H4 H 0.681187 0.905752 0.119929 0.039 Uiso 1 1 calc R . . . .
C5 C 0.63152(10) 0.71959(14) 0.14529(6) 0.0267(3) Uani 1 1 d . . . . .
C6 C 0.59612(9) 0.59040(14) 0.12171(5) 0.0252(3) Uani 1 1 d . . . . .
C7 C 0.56100(9) 0.49390(13) 0.16058(5) 0.0245(3) Uani 1 1 d . . . . .
C8 C 0.56240(9) 0.52403(13) 0.21936(5) 0.0246(3) Uani 1 1 d . . . . .
C9 C 0.60125(10) 0.65224(14) 0.24624(5) 0.0261(3) Uani 1 1 d . . . . .
C10 C 0.63704(10) 0.74911(14) 0.20826(6) 0.0266(3) Uani 1 1 d . . . . .
C11 C 0.67636(11) 0.87588(15) 0.23307(6) 0.0329(3) Uani 1 1 d . . . . .
H11 H 0.702233 0.940857 0.208715 0.039 Uiso 1 1 calc R . . . .
C12 C 0.67820(12) 0.90776(16) 0.29145(6) 0.0366(3) Uani 1 1 d . . . . .
H12 H 0.704099 0.994391 0.306843 0.044 Uiso 1 1 calc R . . . .
C13 C 0.64217(13) 0.81323(16) 0.32799(6) 0.0395(3) Uani 1 1 d . . . . .
H13 H 0.643106 0.835608 0.368307 0.047 Uiso 1 1 calc R . . . .
C14 C 0.60509(12) 0.68715(16) 0.30599(6) 0.0360(3) Uani 1 1 d . . . . .
H14 H 0.581741 0.622782 0.331572 0.043 Uiso 1 1 calc R . . . .
C15 C 0.49835(10) 0.31591(14) 0.19493(5) 0.0255(3) Uani 1 1 d . . . . .
C16 C 0.45484(10) 0.17696(13) 0.19727(5) 0.0256(3) Uani 1 1 d . . . . .
C17 C 0.39549(11) 0.13412(15) 0.23814(6) 0.0321(3) Uani 1 1 d . . . . .
H17 H 0.380298 0.197141 0.266834 0.038 Uiso 1 1 calc R . . . .
C18 C 0.35867(11) 0.00101(15) 0.23725(6) 0.0333(3) Uani 1 1 d . . . . .
H18 H 0.318737 -0.027094 0.265474 0.040 Uiso 1 1 calc R . . . .
C19 C 0.37962(10) -0.09202(14) 0.19538(6) 0.0288(3) Uani 1 1 d . . . . .
C20 C 0.43444(11) -0.04886(15) 0.15244(6) 0.0320(3) Uani 1 1 d . . . . .
H20 H 0.446035 -0.110650 0.122408 0.038 Uiso 1 1 calc R . . . .
C21 C 0.47172(11) 0.08394(14) 0.15378(6) 0.0303(3) Uani 1 1 d . . . . .
H21 H 0.509534 0.112730 0.124656 0.036 Uiso 1 1 calc R . . . .
C22 C 0.34536(11) -0.23293(15) 0.19692(6) 0.0323(3) Uani 1 1 d . . . . .
C23 C 0.50924(10) 0.38197(13) 0.30156(5) 0.0240(3) Uani 1 1 d . . . . .
C24 C 0.57749(10) 0.29381(14) 0.33732(5) 0.0266(3) Uani 1 1 d . . . . .
H24 H 0.635020 0.256043 0.323203 0.032 Uiso 1 1 calc R . . . .
C25 C 0.56236(10) 0.26030(14) 0.39363(6) 0.0284(3) Uani 1 1 d . . . . .
H25 H 0.609617 0.199687 0.417821 0.034 Uiso 1 1 calc R . . . .
C26 C 0.47795(10) 0.31511(14) 0.41510(5) 0.0264(3) Uani 1 1 d . . . . .
C27 C 0.41094(10) 0.40641(14) 0.37867(5) 0.0275(3) Uani 1 1 d . . . . .
H27 H 0.354232 0.446410 0.392834 0.033 Uiso 1 1 calc R . . . .
C28 C 0.42608(10) 0.43910(14) 0.32250(5) 0.0272(3) Uani 1 1 d . . . . .
H28 H 0.379670 0.500562 0.298244 0.033 Uiso 1 1 calc R . . . .
C29 C 0.54049(10) 0.23622(14) 0.51870(5) 0.0275(3) Uani 1 1 d . . . . .
C30 C 0.63619(11) 0.30244(15) 0.53113(6) 0.0322(3) Uani 1 1 d . . . . .
H30 H 0.649428 0.377465 0.507225 0.039 Uiso 1 1 calc R . . . .
C31 C 0.71276(11) 0.25960(17) 0.57837(6) 0.0361(3) Uani 1 1 d . . . . .
H31 H 0.778441 0.304912 0.586342 0.043 Uiso 1 1 calc R . . . .
C32 C 0.69439(12) 0.15204(18) 0.61377(6) 0.0405(4) Uani 1 1 d . . . . .
H32 H 0.746984 0.123029 0.646102 0.049 Uiso 1 1 calc R . . . .
C33 C 0.59833(13) 0.08636(16) 0.60180(6) 0.0398(3) Uani 1 1 d . . . . .
H33 H 0.584850 0.012975 0.626487 0.048 Uiso 1 1 calc R . . . .
C34 C 0.52215(11) 0.12658(15) 0.55437(6) 0.0325(3) Uani 1 1 d . . . . .
H34 H 0.457176 0.079584 0.546001 0.039 Uiso 1 1 calc R . . . .
C35 C 0.35606(10) 0.28300(14) 0.48263(6) 0.0291(3) Uani 1 1 d . . . . .
C36 C 0.33603(12) 0.35401(15) 0.53160(6) 0.0363(3) Uani 1 1 d . . . . .
H36 H 0.390191 0.403859 0.556441 0.044 Uiso 1 1 calc R . . . .
C37 C 0.23644(14) 0.35160(18) 0.54395(8) 0.0479(4) Uani 1 1 d . . . . .
H37 H 0.222851 0.398969 0.577743 0.058 Uiso 1 1 calc R . . . .
C38 C 0.15717(13) 0.28142(19) 0.50781(9) 0.0500(4) Uani 1 1 d . . . . .
H38 H 0.088893 0.281500 0.516236 0.060 Uiso 1 1 calc R . . . .
C39 C 0.17717(12) 0.21113(18) 0.45943(8) 0.0462(4) Uani 1 1 d . . . . .
H39 H 0.122495 0.162383 0.434471 0.055 Uiso 1 1 calc R . . . .
C40 C 0.27664(11) 0.21086(16) 0.44678(6) 0.0361(3) Uani 1 1 d . . . . .
H40 H 0.290143 0.161177 0.413542 0.043 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 105.09(10) . . ?
C8 N2 C23 128.14(10) . . ?
C15 N2 C8 106.30(10) . . ?
C15 N2 C23 125.50(11) . . ?
C26 N4 C29 122.52(11) . . ?
C26 N4 C35 120.26(11) . . ?
C29 N4 C35 117.17(10) . . ?
C2 C1 H1 119.6 . . ?
C2 C1 C6 120.79(13) . . ?
C6 C1 H1 119.6 . . ?
C1 C2 H2 120.3 . . ?
C1 C2 C3 119.31(13) . . ?
C3 C2 H2 120.3 . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.38(13) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 119.1 . . ?
C3 C4 C5 121.85(13) . . ?
C5 C4 H4 119.1 . . ?
C4 C5 C6 117.10(12) . . ?
C4 C5 C10 122.67(12) . . ?
C6 C5 C10 120.22(12) . . ?
C1 C6 C5 120.46(12) . . ?
C1 C6 C7 121.80(12) . . ?
C5 C6 C7 117.73(11) . . ?
N1 C7 C6 126.46(11) . . ?
N1 C7 C8 111.65(11) . . ?
C8 C7 C6 121.88(12) . . ?
N2 C8 C9 132.45(11) . . ?
C7 C8 N2 104.86(11) . . ?
C7 C8 C9 122.69(12) . . ?
C10 C9 C8 116.13(11) . . ?
C14 C9 C8 124.76(12) . . ?
C14 C9 C10 119.10(12) . . ?
C9 C10 C5 121.24(12) . . ?
C11 C10 C5 120.90(12) . . ?
C11 C10 C9 117.86(12) . . ?
C10 C11 H11 119.1 . . ?
C12 C11 C10 121.77(13) . . ?
C12 C11 H11 119.1 . . ?
C11 C12 H12 120.0 . . ?
C11 C12 C13 119.95(13) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.26(13) . . ?
C14 C13 H13 119.9 . . ?
C9 C14 H14 119.5 . . ?
C13 C14 C9 121.04(13) . . ?
C13 C14 H14 119.5 . . ?
N1 C15 N2 112.11(11) . . ?
N1 C15 C16 121.59(11) . . ?
N2 C15 C16 126.29(11) . . ?
C17 C16 C15 124.70(12) . . ?
C17 C16 C21 118.41(12) . . ?
C21 C16 C15 116.85(11) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 C16 120.59(13) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 H18 119.8 . . ?
C17 C18 C19 120.40(13) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 C20 119.65(13) . . ?
C18 C19 C22 119.81(13) . . ?
C20 C19 C22 120.54(13) . . ?
C19 C20 H20 120.2 . . ?
C21 C20 C19 119.67(13) . . ?
C21 C20 H20 120.2 . . ?
C16 C21 H21 119.4 . . ?
C20 C21 C16 121.15(12) . . ?
C20 C21 H21 119.4 . . ?
N3 C22 C19 179.09(16) . . ?
C24 C23 N2 119.74(11) . . ?
C24 C23 C28 119.88(11) . . ?
C28 C23 N2 120.29(11) . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C25 120.39(12) . . ?
C25 C24 H24 119.8 . . ?
C24 C25 H25 119.7 . . ?
C24 C25 C26 120.51(12) . . ?
C26 C25 H25 119.7 . . ?
C25 C26 N4 121.68(12) . . ?
C25 C26 C27 118.23(11) . . ?
C27 C26 N4 120.09(12) . . ?
C26 C27 H27 119.5 . . ?
C28 C27 C26 121.06(12) . . ?
C28 C27 H27 119.5 . . ?
C23 C28 H28 120.0 . . ?
C27 C28 C23 119.91(12) . . ?
C27 C28 H28 120.0 . . ?
C30 C29 N4 121.39(12) . . ?
C30 C29 C34 119.17(12) . . ?
C34 C29 N4 119.41(12) . . ?
C29 C30 H30 119.9 . . ?
C29 C30 C31 120.25(13) . . ?
C31 C30 H30 119.9 . . ?
C30 C31 H31 119.7 . . ?
C32 C31 C30 120.55(14) . . ?
C32 C31 H31 119.7 . . ?
C31 C32 H32 120.3 . . ?
C31 C32 C33 119.36(13) . . ?
C33 C32 H32 120.3 . . ?
C32 C33 H33 119.7 . . ?
C34 C33 C32 120.62(14) . . ?
C34 C33 H33 119.7 . . ?
C29 C34 H34 120.0 . . ?
C33 C34 C29 120.03(14) . . ?
C33 C34 H34 120.0 . . ?
C36 C35 N4 119.45(13) . . ?
C40 C35 N4 120.76(13) . . ?
C40 C35 C36 119.73(13) . . ?
C35 C36 H36 120.2 . . ?
C37 C36 C35 119.53(15) . . ?
C37 C36 H36 120.2 . . ?
C36 C37 H37 119.7 . . ?
C38 C37 C36 120.70(15) . . ?
C38 C37 H37 119.7 . . ?
C37 C38 H38 120.2 . . ?
C39 C38 C37 119.67(15) . . ?
C39 C38 H38 120.2 . . ?
C38 C39 H39 119.8 . . ?
C38 C39 C40 120.47(16) . . ?
C40 C39 H39 119.8 . . ?
C35 C40 C39 119.89(15) . . ?
C35 C40 H40 120.1 . . ?
C39 C40 H40 120.1 . . ?
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 1.3679(17) . ?
N1 C15 1.3186(16) . ?
N2 C8 1.3908(16) . ?
N2 C15 1.3837(16) . ?
N2 C23 1.4408(15) . ?
N3 C22 1.1423(19) . ?
N4 C26 1.4062(16) . ?
N4 C29 1.4245(16) . ?
N4 C35 1.4250(17) . ?
C1 H1 0.9500 . ?
C1 C2 1.3746(19) . ?
C1 C6 1.4051(17) . ?
C2 H2 0.9500 . ?
C2 C3 1.398(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.373(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.4096(18) . ?
C5 C6 1.4100(18) . ?
C5 C10 1.4639(18) . ?
C6 C7 1.4329(17) . ?
C7 C8 1.3794(17) . ?
C8 C9 1.4392(18) . ?
C9 C10 1.4253(18) . ?
C9 C14 1.4063(18) . ?
C10 C11 1.4122(19) . ?
C11 H11 0.9500 . ?
C11 C12 1.373(2) . ?
C12 H12 0.9500 . ?
C12 C13 1.389(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.378(2) . ?
C14 H14 0.9500 . ?
C15 C16 1.4715(18) . ?
C16 C17 1.3956(18) . ?
C16 C21 1.3981(18) . ?
C17 H17 0.9500 . ?
C17 C18 1.380(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.388(2) . ?
C19 C20 1.3946(19) . ?
C19 C22 1.4447(19) . ?
C20 H20 0.9500 . ?
C20 C21 1.379(2) . ?
C21 H21 0.9500 . ?
C23 C24 1.3845(18) . ?
C23 C28 1.3892(18) . ?
C24 H24 0.9500 . ?
C24 C25 1.3868(18) . ?
C25 H25 0.9500 . ?
C25 C26 1.4003(18) . ?
C26 C27 1.4025(18) . ?
C27 H27 0.9500 . ?
C27 C28 1.3819(17) . ?
C28 H28 0.9500 . ?
C29 C30 1.3856(19) . ?
C29 C34 1.3948(19) . ?
C30 H30 0.9500 . ?
C30 C31 1.3872(19) . ?
C31 H31 0.9500 . ?
C31 C32 1.376(2) . ?
C32 H32 0.9500 . ?
C32 C33 1.387(2) . ?
C33 H33 0.9500 . ?
C33 C34 1.380(2) . ?
C34 H34 0.9500 . ?
C35 C36 1.389(2) . ?
C35 C40 1.382(2) . ?
C36 H36 0.9500 . ?
C36 C37 1.386(2) . ?
C37 H37 0.9500 . ?
C37 C38 1.374(3) . ?
C38 H38 0.9500 . ?
C38 C39 1.374(3) . ?
C39 H39 0.9500 . ?
C39 C40 1.387(2) . ?
C40 H40 0.9500 . ?
