#------------------------------------------------------------------------------
#$Date: 2021-07-08 07:37:40 +0300 (Thu, 08 Jul 2021) $
#$Revision: 267365 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/31/7243162.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_7243162
loop_
_publ_author_name
'Yang, Xue'
'Ren, Yixia'
'Chai, Hongmei'
'Hou, Xiufang'
'Wang, Zhixiang'
'Wang, Jijiang'
_publ_section_title
;
 Highly sensitive detection of nitrobenzene by a series of fluorescent 2D
 zinc(ii) metal--organic frameworks with a flexible triangular ligand
;
_journal_issue                   39
_journal_name_full               'RSC Advances'
_journal_page_first              23975
_journal_page_last               23984
_journal_paper_doi               10.1039/D1RA03737D
_journal_volume                  11
_journal_year                    2021
_chemical_formula_sum            'C36 H30 N4 O8 Zn'
_chemical_formula_weight         712.01
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-11-25 deposited with the CCDC.	2021-07-07 downloaded from the CCDC.
;
_cell_angle_alpha                106.065(4)
_cell_angle_beta                 91.671(4)
_cell_angle_gamma                102.175(3)
_cell_formula_units_Z            2
_cell_length_a                   9.764(3)
_cell_length_b                   11.687(3)
_cell_length_c                   15.345(4)
_cell_measurement_reflns_used    5432
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.35
_cell_measurement_theta_min      2.45
_cell_volume                     1637.7(8)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.908
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_unetI/netI     0.0776
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.908
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            9856
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.908
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.316
_diffrn_reflns_theta_min         2.442
_exptl_absorpt_coefficient_mu    0.810
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_description       block
_exptl_crystal_F_000             736
_refine_diff_density_max         0.696
_refine_diff_density_min         -0.775
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         7395
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.0966
_refine_ls_R_factor_gt           0.0556
_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)+(0.0400P)²+2.0553P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1229
_refine_ls_wR_factor_ref         0.1377
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4607
_reflns_number_total             7395
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ra03737d2.cif
_cod_data_source_block           1
_cod_original_cell_volume        1637.7(7)
_cod_database_code               7243162
_shelx_shelxl_version_number     2014/7
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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
Zn1 Zn 0.92554(5) 0.85671(4) 0.69697(3) 0.03768(14) Uani 1 1 d . . . . .
O1 O 0.8269(3) -0.0121(2) 0.71669(18) 0.0483(7) Uani 1 1 d . . . . .
O2 O 0.8875(4) 0.0164(3) 0.5849(2) 0.0667(9) Uani 1 1 d . . . . .
O3 O 0.5587(5) 0.2377(4) 0.4702(2) 0.0942(14) Uani 1 1 d D . . . .
O4 O 0.5146(4) 0.4014(3) 0.5665(2) 0.0761(10) Uani 1 1 d . . . . .
O5 O 0.7451(4) 0.5308(2) 0.87120(18) 0.0569(8) Uani 1 1 d . . . . .
O6 O 0.7073(3) 0.7121(3) 0.7867(2) 0.0745(10) Uani 1 1 d . . . . .
O7 O 0.9273(3) 0.8158(3) 0.81263(19) 0.0532(7) Uani 1 1 d . . . . .
O8 O 0.5210(4) 0.6584(3) 0.6408(2) 0.0730(10) Uani 1 1 d D . . . .
N1 N 0.8785(3) 0.7244(3) 0.5799(2) 0.0460(8) Uani 1 1 d . . . . .
N2 N 0.8863(4) 0.6436(3) 0.4333(2) 0.0516(9) Uani 1 1 d . . . . .
N3 N 0.3603(3) -0.0531(3) -0.2583(2) 0.0444(8) Uani 1 1 d . . . . .
N4 N 0.1362(3) -0.0785(3) -0.2988(2) 0.0413(7) Uani 1 1 d . . . . .
C1 C 0.8302(4) 0.0418(3) 0.6552(3) 0.0422(9) Uani 1 1 d . . . . .
C2 C 0.7583(4) 0.1483(3) 0.6752(3) 0.0381(8) Uani 1 1 d . . . . .
C3 C 0.6953(4) 0.1766(3) 0.6047(3) 0.0426(9) Uani 1 1 d . . . . .
H3A H 0.6924 0.1284 0.5450 0.051 Uiso 1 1 calc R U . . .
C4 C 0.6357(4) 0.2784(3) 0.6241(3) 0.0438(9) Uani 1 1 d . . . . .
C5 C 0.6462(5) 0.3531(4) 0.7126(3) 0.0506(10) Uani 1 1 d . . . . .
H5 H 0.6087 0.4221 0.7245 0.061 Uiso 1 1 calc R U . . .
C6 C 0.7110(5) 0.3272(3) 0.7833(3) 0.0455(10) Uani 1 1 d . . . . .
C7 C 0.7643(4) 0.2215(3) 0.7639(3) 0.0427(9) Uani 1 1 d . . . . .
H7 H 0.8042 0.2002 0.8112 0.051 Uiso 1 1 calc R U . . .
C8 C 0.5629(5) 0.3119(4) 0.5515(3) 0.0554(11) Uani 1 1 d . . . . .
C9 C 0.7275(6) 0.4109(4) 0.8790(3) 0.0608(13) Uani 1 1 d . . . . .
H9A H 0.6447 0.3905 0.9100 0.073 Uiso 1 1 calc R U . . .
H9B H 0.8089 0.4038 0.9132 0.073 Uiso 1 1 calc R U . . .
C10 C 0.7922(4) 0.6281(3) 0.9466(3) 0.0414(9) Uani 1 1 d . . . . .
C11 C 0.8307(4) 0.7422(3) 0.9296(2) 0.0345(8) Uani 1 1 d . . . . .
C12 C 0.8845(4) 0.8438(4) 1.0026(3) 0.0440(9) Uani 1 1 d . . . . .
H12 H 0.9106 0.9198 0.9922 0.053 Uiso 1 1 calc R U . . .
C13 C 0.9008(5) 0.8366(4) 1.0903(3) 0.0576(11) Uani 1 1 d . . . . .
H13 H 0.9392 0.9061 1.1381 0.069 Uiso 1 1 calc R U . . .
C14 C 0.8592(6) 0.7246(5) 1.1052(3) 0.0661(13) Uani 1 1 d . . . . .
H14 H 0.8673 0.7188 1.1643 0.079 Uiso 1 1 calc R U . . .
C15 C 0.8056(5) 0.6203(4) 1.0347(3) 0.0555(11) Uani 1 1 d . . . . .
H15 H 0.7786 0.5451 1.0463 0.067 Uiso 1 1 calc R U . . .
C16 C 0.8179(4) 0.7552(3) 0.8352(3) 0.0377(8) Uani 1 1 d . . . . .
C17 C 0.8360(5) 0.5995(4) 0.5587(3) 0.0560(11) Uani 1 1 d . . . . .
H17 H 0.8084 0.5560 0.6001 0.067 Uiso 1 1 calc R U . . .
C18 C 0.8402(5) 0.5497(4) 0.4694(3) 0.0633(13) Uani 1 1 d . . . . .
H18 H 0.8162 0.4669 0.4379 0.076 Uiso 1 1 calc R U . . .
C19 C 0.9083(5) 0.7465(4) 0.5020(3) 0.0528(11) Uani 1 1 d . . . . .
H19 H 0.9408 0.8243 0.4958 0.063 Uiso 1 1 calc R U . . .
C20 C 0.9262(6) 0.6401(5) 0.3416(3) 0.0826(18) Uani 1 1 d . . . . .
H20A H 1.0263 0.6437 0.3412 0.099 Uiso 1 1 calc R U . . .
H20B H 0.9098 0.7126 0.3280 0.099 Uiso 1 1 calc R U . . .
C21 C 0.8495(5) 0.5294(4) 0.2667(3) 0.0557(11) Uani 1 1 d . . . . .
C22 C 0.9261(5) 0.4606(4) 0.2102(3) 0.0552(11) Uani 1 1 d . . . . .
H22 H 1.0235 0.4794 0.2214 0.066 Uiso 1 1 calc R U . . .
C23 C 0.8614(4) 0.3637(4) 0.1367(3) 0.0494(10) Uani 1 1 d . . . . .
H23 H 0.9166 0.3191 0.0991 0.059 Uiso 1 1 calc R U . . .
C24 C 0.7161(4) 0.3307(3) 0.1171(3) 0.0380(8) Uani 1 1 d . . . . .
C25 C 0.6391(4) 0.4006(4) 0.1752(3) 0.0536(11) Uani 1 1 d . . . . .
H25 H 0.5416 0.3818 0.1647 0.064 Uiso 1 1 calc R U . . .
C26 C 0.7052(5) 0.4985(4) 0.2488(3) 0.0672(13) Uani 1 1 d . . . . .
H26 H 0.6511 0.5439 0.2867 0.081 Uiso 1 1 calc R U . . .
C27 C 0.6513(4) 0.2279(3) 0.0365(2) 0.0359(8) Uani 1 1 d . . . . .
C28 C 0.7198(4) 0.1344(4) -0.0004(3) 0.0461(10) Uani 1 1 d . . . . .
H28 H 0.8043 0.1340 0.0290 0.055 Uiso 1 1 calc R U . . .
C29 C 0.6655(4) 0.0431(4) -0.0789(3) 0.0480(10) Uani 1 1 d . . . . .
H29 H 0.7145 -0.0172 -0.1020 0.058 Uiso 1 1 calc R U . . .
C30 C 0.5399(4) 0.0389(3) -0.1240(3) 0.0390(8) Uani 1 1 d . . . . .
C31 C 0.4682(4) 0.1274(4) -0.0871(3) 0.0499(10) Uani 1 1 d . . . . .
H31 H 0.3816 0.1250 -0.1153 0.060 Uiso 1 1 calc R U . . .
C32 C 0.5233(4) 0.2203(4) -0.0083(3) 0.0469(10) Uani 1 1 d . . . . .
H32 H 0.4728 0.2794 0.0151 0.056 Uiso 1 1 calc R U . . .
C33 C 0.4885(4) -0.0623(4) -0.2106(3) 0.0480(10) Uani 1 1 d . . . . .
H33A H 0.5626 -0.0627 -0.2514 0.058 Uiso 1 1 calc R U . . .
H33B H 0.4705 -0.1398 -0.1966 0.058 Uiso 1 1 calc R U . . .
C34 C 0.3511(5) 0.0132(4) -0.3173(3) 0.0594(12) Uani 1 1 d . . . . .
H34 H 0.4256 0.0609 -0.3368 0.071 Uiso 1 1 calc R U . . .
C35 C 0.2136(5) -0.0033(4) -0.3422(3) 0.0552(11) Uani 1 1 d . . . . .
H35 H 0.1769 0.0313 -0.3827 0.066 Uiso 1 1 calc R U . . .
C36 C 0.2289(4) -0.1071(3) -0.2494(3) 0.0423(9) Uani 1 1 d . . . . .
H36 H 0.2057 -0.1586 -0.2129 0.051 Uiso 1 1 calc R U . . .
H8A H 0.525(5) 0.5940(19) 0.612(2) 0.051 Uiso 1 1 d D U . . .
H8B H 0.580(3) 0.683(4) 0.680(2) 0.051 Uiso 1 1 d D U . . .
H3 H 0.544(5) 0.269(4) 0.435(2) 0.051 Uiso 1 1 d D U . . .
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'
Zn Zn 0.2839 1.4301 '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
O1 Zn1 O7 104.90(12) 1_565 . ?
O1 Zn1 N1 117.75(13) 1_565 . ?
O7 Zn1 N1 120.06(13) . . ?
O1 Zn1 N4 111.17(12) 1_565 1_666 ?
O7 Zn1 N4 96.88(12) . 1_666 ?
N1 Zn1 N4 104.03(13) . 1_666 ?
C1 O1 Zn1 116.2(2) . 1_545 ?
C8 O3 H3 109(3) . . ?
C10 O5 C9 119.2(3) . . ?
C16 O7 Zn1 121.0(3) . . ?
H8A O8 H8B 110(5) . . ?
C19 N1 C17 105.0(3) . . ?
C19 N1 Zn1 121.0(3) . . ?
C17 N1 Zn1 133.1(3) . . ?
C19 N2 C18 106.7(4) . . ?
C19 N2 C20 123.3(4) . . ?
C18 N2 C20 129.5(4) . . ?
C36 N3 C34 106.7(3) . . ?
C36 N3 C33 125.8(3) . . ?
C34 N3 C33 127.5(3) . . ?
C36 N4 C35 105.3(3) . . ?
C36 N4 Zn1 123.1(3) . 1_444 ?
C35 N4 Zn1 131.6(3) . 1_444 ?
O2 C1 O1 125.6(3) . . ?
O2 C1 C2 119.5(3) . . ?
O1 C1 C2 114.8(3) . . ?
C3 C2 C7 120.1(3) . . ?
C3 C2 C1 120.1(3) . . ?
C7 C2 C1 119.6(3) . . ?
C2 C3 C4 119.3(4) . . ?
C2 C3 H3A 120.4 . . ?
C4 C3 H3A 120.4 . . ?
C5 C4 C3 120.0(4) . . ?
C5 C4 C8 118.1(3) . . ?
C3 C4 C8 121.8(4) . . ?
C6 C5 C4 121.3(4) . . ?
C6 C5 H5 119.4 . . ?
C4 C5 H5 119.4 . . ?
C5 C6 C7 118.3(4) . . ?
C5 C6 C9 121.3(3) . . ?
C7 C6 C9 120.4(4) . . ?
C2 C7 C6 120.9(4) . . ?
C2 C7 H7 119.6 . . ?
C6 C7 H7 119.6 . . ?
O4 C8 O3 123.0(4) . . ?
O4 C8 C4 122.8(4) . . ?
O3 C8 C4 114.2(4) . . ?
O5 C9 C6 106.3(3) . . ?
O5 C9 H9A 110.5 . . ?
C6 C9 H9A 110.5 . . ?
O5 C9 H9B 110.5 . . ?
C6 C9 H9B 110.5 . . ?
H9A C9 H9B 108.7 . . ?
O5 C10 C15 124.8(3) . . ?
O5 C10 C11 115.1(3) . . ?
C15 C10 C11 120.1(4) . . ?
C12 C11 C10 118.0(3) . . ?
C12 C11 C16 120.1(3) . . ?
C10 C11 C16 122.0(3) . . ?
C13 C12 C11 122.4(4) . . ?
C13 C12 H12 118.8 . . ?
C11 C12 H12 118.8 . . ?
C14 C13 C12 118.4(4) . . ?
C14 C13 H13 120.8 . . ?
C12 C13 H13 120.8 . . ?
C13 C14 C15 121.5(4) . . ?
C13 C14 H14 119.2 . . ?
C15 C14 H14 119.2 . . ?
C14 C15 C10 119.6(4) . . ?
C14 C15 H15 120.2 . . ?
C10 C15 H15 120.2 . . ?
O6 C16 O7 124.2(4) . . ?
O6 C16 C11 120.8(4) . . ?
O7 C16 C11 115.0(3) . . ?
C18 C17 N1 109.6(4) . . ?
C18 C17 H17 125.2 . . ?
N1 C17 H17 125.2 . . ?
C17 C18 N2 106.9(4) . . ?
C17 C18 H18 126.5 . . ?
N2 C18 H18 126.5 . . ?
N1 C19 N2 111.8(4) . . ?
N1 C19 H19 124.1 . . ?
N2 C19 H19 124.1 . . ?
N2 C20 C21 115.4(4) . . ?
N2 C20 H20A 108.4 . . ?
C21 C20 H20A 108.4 . . ?
N2 C20 H20B 108.4 . . ?
C21 C20 H20B 108.4 . . ?
H20A C20 H20B 107.5 . . ?
C22 C21 C26 118.1(4) . . ?
C22 C21 C20 118.9(4) . . ?
C26 C21 C20 122.9(5) . . ?
C21 C22 C23 121.1(4) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 H22 119.4 . . ?
C22 C23 C24 121.9(4) . . ?
C22 C23 H23 119.0 . . ?
C24 C23 H23 119.0 . . ?
C25 C24 C23 116.5(4) . . ?
C25 C24 C27 123.3(3) . . ?
C23 C24 C27 120.2(3) . . ?
C24 C25 C26 121.2(4) . . ?
C24 C25 H25 119.4 . . ?
C26 C25 H25 119.4 . . ?
C21 C26 C25 121.2(4) . . ?
C21 C26 H26 119.4 . . ?
C25 C26 H26 119.4 . . ?
C32 C27 C28 116.2(3) . . ?
C32 C27 C24 122.6(3) . . ?
C28 C27 C24 121.1(3) . . ?
C29 C28 C27 121.7(4) . . ?
C29 C28 H28 119.2 . . ?
C27 C28 H28 119.2 . . ?
C28 C29 C30 121.3(4) . . ?
C28 C29 H29 119.4 . . ?
C30 C29 H29 119.4 . . ?
C31 C30 C29 118.1(4) . . ?
C31 C30 C33 123.6(3) . . ?
C29 C30 C33 118.3(3) . . ?
C30 C31 C32 120.8(4) . . ?
C30 C31 H31 119.6 . . ?
C32 C31 H31 119.6 . . ?
C27 C32 C31 121.9(4) . . ?
C27 C32 H32 119.0 . . ?
C31 C32 H32 119.0 . . ?
N3 C33 C30 114.4(3) . . ?
N3 C33 H33A 108.7 . . ?
C30 C33 H33A 108.7 . . ?
N3 C33 H33B 108.7 . . ?
C30 C33 H33B 108.7 . . ?
H33A C33 H33B 107.6 . . ?
C35 C34 N3 106.9(4) . . ?
C35 C34 H34 126.5 . . ?
N3 C34 H34 126.5 . . ?
C34 C35 N4 109.5(4) . . ?
C34 C35 H35 125.3 . . ?
N4 C35 H35 125.3 . . ?
N4 C36 N3 111.7(3) . . ?
N4 C36 H36 124.2 . . ?
N3 C36 H36 124.2 . . ?
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
Zn1 O1 1.938(2) 1_565 ?
Zn1 O7 1.962(3) . ?
Zn1 N1 1.986(3) . ?
Zn1 N4 2.029(3) 1_666 ?
O1 C1 1.269(4) . ?
O1 Zn1 1.938(2) 1_545 ?
O2 C1 1.222(5) . ?
O3 C8 1.301(5) . ?
O3 H3 0.758(10) . ?
O4 C8 1.205(5) . ?
O5 C10 1.366(4) . ?
O5 C9 1.414(4) . ?
O6 C16 1.220(5) . ?
O7 C16 1.265(4) . ?
O8 H8A 0.771(10) . ?
O8 H8B 0.767(10) . ?
N1 C19 1.318(5) . ?
N1 C17 1.372(5) . ?
N2 C19 1.334(5) . ?
N2 C18 1.362(5) . ?
N2 C20 1.463(5) . ?
N3 C36 1.334(5) . ?
N3 C34 1.357(5) . ?
N3 C33 1.470(5) . ?
N4 C36 1.316(5) . ?
N4 C35 1.364(5) . ?
N4 Zn1 2.029(3) 1_444 ?
C1 C2 1.518(5) . ?
C2 C3 1.379(5) . ?
C2 C7 1.385(5) . ?
C3 C4 1.396(5) . ?
C3 H3A 0.9300 . ?
C4 C5 1.384(5) . ?
C4 C8 1.488(6) . ?
C5 C6 1.375(5) . ?
C5 H5 0.9300 . ?
C6 C7 1.400(5) . ?
C6 C9 1.505(6) . ?
C7 H7 0.9300 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C15 1.384(5) . ?
C10 C11 1.405(5) . ?
C11 C12 1.381(5) . ?
C11 C16 1.503(5) . ?
C12 C13 1.377(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.371(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.377(6) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C17 C18 1.339(6) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.508(6) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.364(6) . ?
C21 C26 1.378(6) . ?
C22 C23 1.380(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.390(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.387(5) . ?
C24 C27 1.478(5) . ?
C25 C26 1.389(6) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 C32 1.383(5) . ?
C27 C28 1.396(5) . ?
C28 C29 1.373(5) . ?
C28 H28 0.9300 . ?
C29 C30 1.375(5) . ?
C29 H29 0.9300 . ?
C30 C31 1.373(5) . ?
C30 C33 1.503(5) . ?
C31 C32 1.386(5) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 C35 1.343(6) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
