#------------------------------------------------------------------------------
#$Date: 2020-12-30 02:02:08 +0200 (Wed, 30 Dec 2020) $
#$Revision: 260207 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/54/4135428.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_4135428
loop_
_publ_author_name
'Shi, Zhao-Tao'
'Hu, Yi-Xiong'
'Hu, Zhubin'
'Zhang, Qi'
'Chen, Shao-Yu'
'Chen, Meng'
'Yu, Jing-Jing'
'Yin, Guang-Qiang'
'Sun, Haitao'
'Xu, Lin'
'Li, Xiaopeng'
'Feringa, Ben L.'
'Yang, Hai-Bo'
'Tian, He'
'Qu, Da-Hui'
_publ_section_title
;
 Visible-Light-Driven Rotation of Molecular Motors in Discrete
 Supramolecular Metallacycles
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.0c11752
_journal_year                    2020
_chemical_absolute_configuration rmad
_chemical_formula_moiety         'C37 H26 N2 O2'
_chemical_formula_sum            'C37 H26 N2 O2'
_chemical_formula_weight         530.60
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-05-08
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.2586(2)
_cell_length_b                   14.8057(4)
_cell_length_c                   25.2215(7)
_cell_measurement_reflns_used    9452
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      54.69
_cell_measurement_theta_min      3.01
_cell_volume                     2710.52(13)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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      169.98
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0572
_diffrn_reflns_av_unetI/netI     0.0337
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            36085
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.932
_diffrn_reflns_theta_min         3.011
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.408
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.6129
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1411 before and 0.0847 after correction. The Ratio of minimum to maximum transmission is 0.8163. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.300
_exptl_crystal_description       needle
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.005
_refine_diff_density_max         0.570
_refine_diff_density_min         -0.181
_refine_diff_density_rms         0.058
_refine_ls_abs_structure_details
;
 Flack x determined using 1807 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.3(2)
_refine_ls_extinction_coef       0.0042(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         5128
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0578
_refine_ls_R_factor_gt           0.0517
_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)+(0.0836P)²+0.9169P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1418
_refine_ls_wR_factor_ref         0.1472
_reflns_Friedel_coverage         0.744
_reflns_Friedel_fraction_full    0.994
_reflns_Friedel_fraction_max     0.994
_reflns_number_gt                4674
_reflns_number_total             5128
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja0c11752_si_003.cif
_cod_data_source_block           mj19296_0m
_cod_database_code               4135428
_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   0.998
_shelx_estimated_absorpt_t_min   0.960
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C25(H25)
2.b Secondary CH2 refined with riding coordinates:
 C26(H26A,H26B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C9(H9), C10(H10), C12(H12), C15(H15), C16(H16),
 C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23), C28(H28), C29(H29),
  C31(H31), C32(H32), C33(H33), C34(H34)
2.d Idealised Me refined as rotating group:
 C37(H37A,H37B,H37C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
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 1.0410(4) 0.75283(15) 0.50915(10) 0.0387(6) Uani 1 1 d . . . . .
O2 O 1.0600(4) 0.96494(18) 0.74406(10) 0.0473(7) Uani 1 1 d . . . . .
N1 N 1.0167(5) 0.2561(2) 0.53988(14) 0.0505(9) Uani 1 1 d . . . . .
N2 N 1.0382(5) 1.1451(2) 0.32545(12) 0.0461(8) Uani 1 1 d . . . . .
C1 C 1.0018(5) 0.6953(2) 0.55025(13) 0.0301(7) Uani 1 1 d . . . . .
C2 C 1.0255(5) 0.6045(2) 0.53862(14) 0.0305(7) Uani 1 1 d . . . . .
H2 H 1.069523 0.586834 0.504696 0.037 Uiso 1 1 calc R . . . .
C3 C 0.9849(5) 0.5391(2) 0.57661(13) 0.0288(7) Uani 1 1 d . . . . .
C4 C 0.9142(5) 0.5683(2) 0.62572(13) 0.0325(7) Uani 1 1 d . . . . .
H4 H 0.882402 0.525078 0.652012 0.039 Uiso 1 1 calc R . . . .
C5 C 0.8907(5) 0.6590(2) 0.63595(13) 0.0331(7) Uani 1 1 d . . . . .
H5 H 0.838875 0.676683 0.668957 0.040 Uiso 1 1 calc R . . . .
C6 C 0.9405(4) 0.7266(2) 0.59938(13) 0.0295(7) Uani 1 1 d . . . . .
C7 C 0.9166(5) 0.8244(2) 0.61004(13) 0.0311(7) Uani 1 1 d . . . . .
C8 C 0.9252(4) 0.8802(2) 0.56126(13) 0.0277(7) Uani 1 1 d . . . . .
C9 C 0.8953(5) 0.9740(2) 0.55892(13) 0.0303(7) Uani 1 1 d . . . . .
H9 H 0.855250 1.004089 0.590122 0.036 Uiso 1 1 calc R . . . .
C10 C 0.9211(5) 1.0241(2) 0.51384(13) 0.0315(7) Uani 1 1 d . . . . .
H10 H 0.901225 1.087508 0.514877 0.038 Uiso 1 1 calc R . . . .
C11 C 0.9766(4) 0.9834(2) 0.46612(13) 0.0284(7) Uani 1 1 d . . . . .
C12 C 1.0116(5) 0.8913(2) 0.46726(13) 0.0306(7) Uani 1 1 d . . . . .
H12 H 1.052387 0.861596 0.436014 0.037 Uiso 1 1 calc R . . . .
C13 C 0.9875(5) 0.8420(2) 0.51371(13) 0.0299(7) Uani 1 1 d . . . . .
C14 C 0.9993(5) 0.4421(2) 0.56389(14) 0.0309(7) Uani 1 1 d . . . . .
C15 C 0.9633(6) 0.4099(2) 0.51363(15) 0.0394(8) Uani 1 1 d . . . . .
H15 H 0.932844 0.450686 0.485916 0.047 Uiso 1 1 calc R . . . .
C16 C 0.9716(6) 0.3184(2) 0.50364(16) 0.0461(9) Uani 1 1 d . . . . .
H16 H 0.943456 0.298236 0.468809 0.055 Uiso 1 1 calc R . . . .
C17 C 1.0528(6) 0.2878(2) 0.58816(17) 0.0464(10) Uani 1 1 d . . . . .
H17 H 1.085366 0.245492 0.614865 0.056 Uiso 1 1 calc R . . . .
C18 C 1.0461(5) 0.3780(2) 0.60217(15) 0.0375(8) Uani 1 1 d . . . . .
H18 H 1.073074 0.396186 0.637451 0.045 Uiso 1 1 calc R . . . .
C19 C 0.9981(4) 1.0376(2) 0.41738(12) 0.0296(7) Uani 1 1 d . . . . .
C20 C 1.0549(5) 1.1276(2) 0.42017(14) 0.0336(7) Uani 1 1 d . . . . .
H20 H 1.081442 1.154472 0.453504 0.040 Uiso 1 1 calc R . . . .
C21 C 1.0723(5) 1.1770(2) 0.37413(15) 0.0401(8) Uani 1 1 d . . . . .
H21 H 1.111186 1.238023 0.377167 0.048 Uiso 1 1 calc R . . . .
C22 C 0.9824(6) 1.0588(3) 0.32318(15) 0.0445(9) Uani 1 1 d . . . . .
H22 H 0.956229 1.034087 0.289254 0.053 Uiso 1 1 calc R . . . .
C23 C 0.9604(5) 1.0030(2) 0.36716(14) 0.0375(8) Uani 1 1 d . . . . .
H23 H 0.920272 0.942368 0.362996 0.045 Uiso 1 1 calc R . . . .
C24 C 0.8996(5) 0.8571(2) 0.66111(14) 0.0336(7) Uani 1 1 d . . . . .
C25 C 0.9946(6) 0.8125(2) 0.70860(14) 0.0387(8) Uani 1 1 d . . . . .
H25 H 1.059733 0.757075 0.695905 0.046 Uiso 1 1 calc R . . . .
C26 C 1.1373(6) 0.8796(3) 0.72733(16) 0.0473(10) Uani 1 1 d . . . . .
H26A H 1.206316 0.852809 0.757321 0.057 Uiso 1 1 calc R . . . .
H26B H 1.225943 0.890685 0.698225 0.057 Uiso 1 1 calc R . . . .
C27 C 0.9043(6) 0.9928(2) 0.71858(15) 0.0401(9) Uani 1 1 d . . . . .
C28 C 0.8346(7) 1.0767(3) 0.73632(17) 0.0502(10) Uani 1 1 d . . . . .
H28 H 0.899489 1.109476 0.762747 0.060 Uiso 1 1 calc R . . . .
C29 C 0.6790(7) 1.1102(3) 0.71646(16) 0.0487(10) Uani 1 1 d . . . . .
H29 H 0.637954 1.168136 0.727571 0.058 Uiso 1 1 calc R . . . .
C30 C 0.5726(6) 1.0604(2) 0.67862(15) 0.0419(9) Uani 1 1 d . . . . .
C31 C 0.4011(6) 1.0925(3) 0.65904(18) 0.0495(10) Uani 1 1 d . . . . .
H31 H 0.355484 1.149060 0.671058 0.059 Uiso 1 1 calc R . . . .
C32 C 0.3027(6) 1.0448(3) 0.62405(17) 0.0483(10) Uani 1 1 d . . . . .
H32 H 0.189615 1.068005 0.610834 0.058 Uiso 1 1 calc R . . . .
C33 C 0.3674(5) 0.9597(3) 0.60681(17) 0.0461(9) Uani 1 1 d . . . . .
H33 H 0.295508 0.925050 0.582793 0.055 Uiso 1 1 calc R . . . .
C34 C 0.5310(5) 0.9270(3) 0.62417(15) 0.0395(8) Uani 1 1 d . . . . .
H34 H 0.571851 0.869650 0.611964 0.047 Uiso 1 1 calc R . . . .
C35 C 0.6423(5) 0.9760(2) 0.65996(14) 0.0359(8) Uani 1 1 d . . . . .
C36 C 0.8191(5) 0.9439(2) 0.67818(14) 0.0345(8) Uani 1 1 d . . . . .
C37 C 0.8660(7) 0.7857(3) 0.75483(15) 0.0495(11) Uani 1 1 d . . . . .
H37A H 0.805299 0.839789 0.768835 0.074 Uiso 1 1 calc GR . . . .
H37B H 0.938467 0.757083 0.782982 0.074 Uiso 1 1 calc GR . . . .
H37C H 0.772635 0.743182 0.741973 0.074 Uiso 1 1 calc GR . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0148 0.0070 '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 0.0253 0.0136 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0412 0.0250 '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 C13 118.2(3) . . ?
C27 O2 C26 116.6(3) . . ?
C17 N1 C16 115.5(3) . . ?
C21 N2 C22 115.5(3) . . ?
O1 C1 C2 114.6(3) . . ?
O1 C1 C6 122.1(3) . . ?
C2 C1 C6 123.3(3) . . ?
C1 C2 H2 119.9 . . ?
C1 C2 C3 120.1(3) . . ?
C3 C2 H2 119.9 . . ?
C2 C3 C4 117.9(3) . . ?
C2 C3 C14 120.8(3) . . ?
C4 C3 C14 121.1(3) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 C3 120.6(3) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 118.7 . . ?
C4 C5 C6 122.5(3) . . ?
C6 C5 H5 118.7 . . ?
C1 C6 C5 115.4(3) . . ?
C1 C6 C7 121.5(3) . . ?
C5 C6 C7 123.0(3) . . ?
C8 C7 C6 112.9(3) . . ?
C24 C7 C6 121.4(3) . . ?
C24 C7 C8 125.6(3) . . ?
C9 C8 C7 125.3(3) . . ?
C13 C8 C7 119.9(3) . . ?
C13 C8 C9 114.4(3) . . ?
C8 C9 H9 118.4 . . ?
C10 C9 C8 123.3(3) . . ?
C10 C9 H9 118.4 . . ?
C9 C10 H10 119.4 . . ?
C9 C10 C11 121.2(3) . . ?
C11 C10 H10 119.4 . . ?
C10 C11 C19 120.7(3) . . ?
C12 C11 C10 117.2(3) . . ?
C12 C11 C19 122.2(3) . . ?
C11 C12 H12 119.7 . . ?
C11 C12 C13 120.7(3) . . ?
C13 C12 H12 119.7 . . ?
O1 C13 C8 123.2(3) . . ?
O1 C13 C12 113.3(3) . . ?
C12 C13 C8 123.3(3) . . ?
C15 C14 C3 121.6(3) . . ?
C15 C14 C18 116.5(3) . . ?
C18 C14 C3 121.9(3) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.0(4) . . ?
C16 C15 H15 120.0 . . ?
N1 C16 C15 124.2(4) . . ?
N1 C16 H16 117.9 . . ?
C15 C16 H16 117.9 . . ?
N1 C17 H17 117.7 . . ?
N1 C17 C18 124.6(4) . . ?
C18 C17 H17 117.7 . . ?
C14 C18 H18 120.4 . . ?
C17 C18 C14 119.2(4) . . ?
C17 C18 H18 120.4 . . ?
C20 C19 C11 120.5(3) . . ?
C23 C19 C11 122.5(3) . . ?
C23 C19 C20 117.0(3) . . ?
C19 C20 H20 120.3 . . ?
C21 C20 C19 119.4(3) . . ?
C21 C20 H20 120.3 . . ?
N2 C21 C20 124.7(3) . . ?
N2 C21 H21 117.7 . . ?
C20 C21 H21 117.7 . . ?
N2 C22 H22 117.8 . . ?
N2 C22 C23 124.5(3) . . ?
C23 C22 H22 117.8 . . ?
C19 C23 H23 120.5 . . ?
C22 C23 C19 118.9(3) . . ?
C22 C23 H23 120.5 . . ?
C7 C24 C25 122.6(3) . . ?
C7 C24 C36 127.8(3) . . ?
C36 C24 C25 109.0(3) . . ?
C24 C25 H25 108.4 . . ?
C24 C25 C37 115.4(3) . . ?
C26 C25 C24 105.7(3) . . ?
C26 C25 H25 108.4 . . ?
C26 C25 C37 110.3(3) . . ?
C37 C25 H25 108.4 . . ?
O2 C26 C25 113.6(3) . . ?
O2 C26 H26A 108.9 . . ?
O2 C26 H26B 108.9 . . ?
C25 C26 H26A 108.9 . . ?
C25 C26 H26B 108.9 . . ?
H26A C26 H26B 107.7 . . ?
O2 C27 C28 114.4(3) . . ?
O2 C27 C36 123.7(3) . . ?
C36 C27 C28 121.9(4) . . ?
C27 C28 H28 119.6 . . ?
C29 C28 C27 120.8(4) . . ?
C29 C28 H28 119.6 . . ?
C28 C29 H29 119.5 . . ?
C28 C29 C30 121.0(4) . . ?
C30 C29 H29 119.5 . . ?
C31 C30 C29 122.1(4) . . ?
C31 C30 C35 119.2(4) . . ?
C35 C30 C29 118.6(4) . . ?
C30 C31 H31 119.3 . . ?
C32 C31 C30 121.4(4) . . ?
C32 C31 H31 119.3 . . ?
C31 C32 H32 120.1 . . ?
C31 C32 C33 119.7(4) . . ?
C33 C32 H32 120.1 . . ?
C32 C33 H33 119.6 . . ?
C34 C33 C32 120.7(4) . . ?
C34 C33 H33 119.6 . . ?
C33 C34 H34 119.2 . . ?
C33 C34 C35 121.6(4) . . ?
C35 C34 H34 119.2 . . ?
C30 C35 C36 119.9(3) . . ?
C34 C35 C30 117.3(3) . . ?
C34 C35 C36 122.9(3) . . ?
C27 C36 C24 119.3(3) . . ?
C27 C36 C35 117.1(3) . . ?
C35 C36 C24 123.1(3) . . ?
C25 C37 H37A 109.5 . . ?
C25 C37 H37B 109.5 . . ?
C25 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
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 1.372(4) . ?
O1 C13 1.381(4) . ?
O2 C26 1.446(5) . ?
O2 C27 1.364(5) . ?
N1 C16 1.338(5) . ?
N1 C17 1.331(5) . ?
N2 C21 1.338(5) . ?
N2 C22 1.341(5) . ?
C1 C2 1.387(4) . ?
C1 C6 1.395(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.394(5) . ?
C3 C4 1.409(5) . ?
C3 C14 1.475(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.379(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.407(5) . ?
C6 C7 1.484(4) . ?
C7 C8 1.484(4) . ?
C7 C24 1.381(5) . ?
C8 C9 1.406(4) . ?
C8 C13 1.401(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.371(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.405(5) . ?
C11 C12 1.387(4) . ?
C11 C19 1.476(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.391(5) . ?
C14 C15 1.379(5) . ?
C14 C18 1.396(5) . ?
C15 H15 0.9500 . ?
C15 C16 1.379(5) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C17 C18 1.382(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.397(5) . ?
C19 C23 1.393(5) . ?
C20 H20 0.9500 . ?
C20 C21 1.378(5) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C22 C23 1.392(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.532(5) . ?
C24 C36 1.476(5) . ?
C25 H25 1.0000 . ?
C25 C26 1.510(6) . ?
C25 C37 1.546(6) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.414(6) . ?
C27 C36 1.395(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.331(6) . ?
C29 H29 0.9500 . ?
C29 C30 1.432(6) . ?
C30 C31 1.421(6) . ?
C30 C35 1.428(5) . ?
C31 H31 0.9500 . ?
C31 C32 1.338(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.413(6) . ?
C33 H33 0.9500 . ?
C33 C34 1.355(6) . ?
C34 H34 0.9500 . ?
C34 C35 1.412(5) . ?
C35 C36 1.444(5) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
