#------------------------------------------------------------------------------
#$Date: 2021-05-15 07:00:53 +0300 (Sat, 15 May 2021) $
#$Revision: 265239 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/28/7242869.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_7242869
loop_
_publ_author_name
'Thushara, Nadini'
'Darshani, Taniya'
'Samarakoon, Sameera R.'
'Perera, Inoka C.'
'Fronczek, Frank R.'
'Sameera, W. M. C.'
'Perera, Theshini'
_publ_section_title
;
 Synthesis, characterization and biological evaluation of dipicolylamine
 sulfonamide derivatized platinum complexes as potential anticancer agents
;
_journal_issue                   29
_journal_name_full               'RSC Advances'
_journal_page_first              17658
_journal_page_last               17668
_journal_paper_doi               10.1039/D1RA00842K
_journal_volume                  11
_journal_year                    2021
_chemical_formula_moiety         'C22 H19 Cl2 N3 O2 Pt S'
_chemical_formula_sum            'C22 H19 Cl2 N3 O2 Pt S'
_chemical_formula_weight         655.45
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-09-12 deposited with the CCDC.	2021-05-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.188(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.9376(10)
_cell_length_b                   9.6371(3)
_cell_length_c                   17.6498(6)
_cell_measurement_reflns_used    9997
_cell_measurement_temperature    100.0(5)
_cell_measurement_theta_max      29.27
_cell_measurement_theta_min      2.26
_cell_volume                     4377.1(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0(5)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Kappa APEX-II DUO'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'TRIUMPH curved graphite'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0425
_diffrn_reflns_av_unetI/netI     0.0413
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            40590
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         30.562
_diffrn_reflns_theta_min         2.257
_exptl_absorpt_coefficient_mu    6.776
_exptl_absorpt_correction_T_max  0.876
_exptl_absorpt_correction_T_min  0.632
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.989
_exptl_crystal_description       needle
_exptl_crystal_F_000             2528
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.020
_refine_diff_density_max         2.522
_refine_diff_density_min         -1.195
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         6705
_refine_ls_number_restraints     75
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0298
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0353P)²+5.0712P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0629
_refine_ls_wR_factor_ref         0.0697
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5248
_reflns_number_total             6705
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ra00842k2.cif
_cod_data_source_block           Himali45
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7242869
_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.
;
_shelx_estimated_absorpt_t_min   0.272
_shelx_estimated_absorpt_t_max   0.876
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Pt1 Pt 0.74038(2) 0.48291(2) 0.45334(2) 0.01900(5) Uani 1 1 d . . . . .
Cl1 Cl 0.77094(4) 0.53219(9) 0.57799(5) 0.02717(19) Uani 1 1 d . . . . .
Cl2 Cl 0.81924(4) 0.53538(10) 0.41388(6) 0.0303(2) Uani 1 1 d . . . . .
S1 S 0.57754(4) 0.69968(10) 0.31948(6) 0.0304(2) Uani 1 1 d . . . . .
N1 N 0.67013(11) 0.4383(3) 0.48639(16) 0.0203(6) Uani 1 1 d . . . . .
N2 N 0.63499(12) 0.6718(3) 0.36541(18) 0.0281(7) Uani 1 1 d . . . . .
N3 N 0.71316(11) 0.4299(3) 0.34434(16) 0.0208(6) Uani 1 1 d . . . . .
C1 C 0.66169(14) 0.3116(4) 0.51394(19) 0.0242(8) Uani 1 1 d . . . . .
H1 H 0.6881 0.2433 0.5143 0.029 Uiso 1 1 calc R U . . .
C2 C 0.61606(15) 0.2772(4) 0.5417(2) 0.0326(9) Uani 1 1 d . . . . .
H2 H 0.6111 0.1870 0.5612 0.039 Uiso 1 1 calc R U . . .
C3 C 0.57770(16) 0.3764(5) 0.5406(2) 0.0381(10) Uani 1 1 d . . . . .
H3 H 0.5462 0.3562 0.5605 0.046 Uiso 1 1 calc R U . . .
C4 C 0.58558(17) 0.5048(4) 0.5102(2) 0.0325(9) Uani 1 1 d . . . . .
H4 H 0.5589 0.5727 0.5075 0.039 Uiso 1 1 calc R U . . .
C5 C 0.63219(15) 0.5359(4) 0.4836(2) 0.0249(8) Uani 1 1 d . . . . .
C6 C 0.64173(14) 0.6756(4) 0.4497(2) 0.0263(8) Uani 1 1 d . . . . .
H6A H 0.6173 0.7441 0.4671 0.032 Uiso 1 1 calc R U . . .
H6B H 0.6775 0.7064 0.4683 0.032 Uiso 1 1 calc R U . . .
C7 C 0.67957(15) 0.6673(4) 0.3218(2) 0.0269(8) Uani 1 1 d . . . . .
H7A H 0.7109 0.7006 0.3546 0.032 Uiso 1 1 calc R U . . .
H7B H 0.6730 0.7309 0.2776 0.032 Uiso 1 1 calc R U . . .
C8 C 0.68988(15) 0.5235(4) 0.2933(2) 0.0244(8) Uani 1 1 d . . . . .
C9 C 0.67534(17) 0.4829(4) 0.2182(2) 0.0317(9) Uani 1 1 d . . . . .
H9 H 0.6598 0.5484 0.1821 0.038 Uiso 1 1 calc R U . . .
C10 C 0.68316(16) 0.3490(5) 0.1955(2) 0.0344(9) Uani 1 1 d . . . . .
H10 H 0.6738 0.3221 0.1439 0.041 Uiso 1 1 calc R U . . .
C11 C 0.70499(15) 0.2537(4) 0.2492(2) 0.0308(9) Uani 1 1 d . . . . .
H11 H 0.7095 0.1596 0.2354 0.037 Uiso 1 1 calc R U . . .
C12 C 0.71992(14) 0.2985(4) 0.3227(2) 0.0262(8) Uani 1 1 d . . . . .
H12 H 0.7355 0.2341 0.3594 0.031 Uiso 1 1 calc R U . . .
O1 O 0.54104(17) 0.6971(6) 0.3813(3) 0.0289(12) Uani 0.570(4) 1 d . . P A 1
O2 O 0.5695(2) 0.6117(6) 0.2596(3) 0.0310(12) Uani 0.570(4) 1 d . . P A 1
C13 C 0.57922(18) 0.8733(7) 0.2890(4) 0.0254(15) Uani 0.570(4) 1 d D . P A 1
C14 C 0.55947(18) 0.8968(7) 0.2146(4) 0.0300(16) Uani 0.570(4) 1 d D . P A 1
H14 H 0.5515 0.8208 0.1809 0.036 Uiso 0.570(4) 1 calc R U P A 1
C15 C 0.55094(16) 1.0347(8) 0.1878(4) 0.0381(18) Uani 0.570(4) 1 d D U P A 1
C16 C 0.5302(3) 1.0598(11) 0.1095(6) 0.052(3) Uani 0.570(4) 1 d D U P A 1
H16 H 0.5221 0.9861 0.0743 0.062 Uiso 0.570(4) 1 calc R U P A 1
C17 C 0.5230(3) 1.1970(11) 0.0883(6) 0.067(3) Uani 0.570(4) 1 d D U P A 1
H17 H 0.5093 1.2188 0.0373 0.080 Uiso 0.570(4) 1 calc R U P A 1
C18 C 0.5357(3) 1.3081(11) 0.1425(6) 0.054(2) Uani 0.570(4) 1 d D U P A 1
H18 H 0.5301 1.4014 0.1262 0.064 Uiso 0.570(4) 1 calc R U P A 1
C19 C 0.5545(2) 1.2839(9) 0.2120(5) 0.055(2) Uani 0.570(4) 1 d D U P A 1
H19 H 0.5624 1.3593 0.2461 0.066 Uiso 0.570(4) 1 calc R U P A 1
C20 C 0.5635(2) 1.1445(8) 0.2390(5) 0.0415(19) Uani 0.570(4) 1 d D U P A 1
C21 C 0.5843(3) 1.1152(11) 0.3183(6) 0.0407(14) Uani 0.570(4) 1 d D . P A 1
H21 H 0.5923 1.1894 0.3532 0.049 Uiso 0.570(4) 1 calc R U P A 1
C22 C 0.5920(2) 0.9817(9) 0.3421(5) 0.0313(16) Uani 0.570(4) 1 d D . P A 1
H22 H 0.6056 0.9617 0.3934 0.038 Uiso 0.570(4) 1 calc R U P A 1
O1A O 0.5420(2) 0.6184(8) 0.3462(4) 0.0364(17) Uani 0.430(4) 1 d . . P A 2
O2A O 0.5843(3) 0.6811(8) 0.2311(4) 0.0371(18) Uani 0.430(4) 1 d . . P A 2
C13A C 0.5663(3) 0.8752(9) 0.3288(4) 0.027(2) Uani 0.430(4) 1 d D . P A 2
C14A C 0.5184(3) 0.9090(9) 0.3484(3) 0.0256(19) Uani 0.430(4) 1 d D . P A 2
H14A H 0.4944 0.8391 0.3586 0.031 Uiso 0.430(4) 1 calc R U P A 2
C15A C 0.5056(3) 1.0534(9) 0.3531(2) 0.0265(19) Uani 0.430(4) 1 d D . P A 2
C16A C 0.4559(4) 1.0932(10) 0.3734(4) 0.026(2) Uani 0.430(4) 1 d D . P A 2
H16A H 0.4311 1.0256 0.3839 0.032 Uiso 0.430(4) 1 calc R U P A 2
C17A C 0.4454(4) 1.2309(10) 0.3771(4) 0.054(4) Uani 0.430(4) 1 d D . P A 2
H17A H 0.4129 1.2615 0.3904 0.065 Uiso 0.430(4) 1 calc R U P A 2
C18A C 0.4836(4) 1.3293(13) 0.3608(4) 0.054(2) Uani 0.430(4) 1 d D . P A 2
H18A H 0.4753 1.4249 0.3637 0.064 Uiso 0.430(4) 1 calc R U P A 2
C19A C 0.5282(4) 1.2977(10) 0.3427(4) 0.040(3) Uani 0.430(4) 1 d D . P A 2
H19A H 0.5519 1.3683 0.3324 0.048 Uiso 0.430(4) 1 calc R U P A 2
C20A C 0.5420(3) 1.1543(9) 0.3379(3) 0.032(2) Uani 0.430(4) 1 d D . P A 2
C21A C 0.5932(5) 1.1147(14) 0.3167(5) 0.0407(14) Uani 0.430(4) 1 d D . P A 2
H21A H 0.6183 1.1812 0.3059 0.049 Uiso 0.430(4) 1 calc R U P A 2
C22A C 0.6017(4) 0.9772(12) 0.3139(4) 0.0313(16) Uani 0.430(4) 1 d D . P A 2
H22A H 0.6343 0.9474 0.3007 0.038 Uiso 0.430(4) 1 calc R U P A 2
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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
N1 Pt1 N3 90.05(11) . . ?
N1 Pt1 Cl1 89.03(8) . . ?
N3 Pt1 Cl1 177.34(9) . . ?
N1 Pt1 Cl2 178.95(8) . . ?
N3 Pt1 Cl2 89.16(8) . . ?
Cl1 Pt1 Cl2 91.79(4) . . ?
O2 S1 O1 120.0(3) . . ?
O1A S1 O2A 116.3(4) . . ?
O1A S1 N2 110.8(3) . . ?
O2 S1 N2 109.1(2) . . ?
O1 S1 N2 104.6(2) . . ?
O2A S1 N2 105.1(3) . . ?
O1A S1 C13A 114.1(4) . . ?
O2A S1 C13A 104.0(4) . . ?
N2 S1 C13A 105.6(3) . . ?
O2 S1 C13 111.4(3) . . ?
O1 S1 C13 105.9(3) . . ?
N2 S1 C13 104.7(2) . . ?
C1 N1 C5 119.5(3) . . ?
C1 N1 Pt1 119.4(2) . . ?
C5 N1 Pt1 121.1(3) . . ?
C7 N2 C6 121.8(3) . . ?
C7 N2 S1 118.4(3) . . ?
C6 N2 S1 118.9(2) . . ?
C12 N3 C8 120.1(3) . . ?
C12 N3 Pt1 117.7(2) . . ?
C8 N3 Pt1 122.2(2) . . ?
N1 C1 C2 122.3(4) . . ?
N1 C1 H1 118.8 . . ?
C2 C1 H1 118.8 . . ?
C1 C2 C3 118.6(4) . . ?
C1 C2 H2 120.7 . . ?
C3 C2 H2 120.7 . . ?
C4 C3 C2 119.2(4) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C3 C4 C5 120.4(4) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
N1 C5 C4 119.9(3) . . ?
N1 C5 C6 118.6(3) . . ?
C4 C5 C6 121.5(3) . . ?
N2 C6 C5 111.9(3) . . ?
N2 C6 H6A 109.2 . . ?
C5 C6 H6A 109.2 . . ?
N2 C6 H6B 109.2 . . ?
C5 C6 H6B 109.2 . . ?
H6A C6 H6B 107.9 . . ?
N2 C7 C8 112.7(3) . . ?
N2 C7 H7A 109.0 . . ?
C8 C7 H7A 109.0 . . ?
N2 C7 H7B 109.0 . . ?
C8 C7 H7B 109.0 . . ?
H7A C7 H7B 107.8 . . ?
N3 C8 C9 119.3(3) . . ?
N3 C8 C7 118.0(3) . . ?
C9 C8 C7 122.6(3) . . ?
C10 C9 C8 120.8(4) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C9 C10 C11 119.0(4) . . ?
C9 C10 H10 120.5 . . ?
C11 C10 H10 120.5 . . ?
C12 C11 C10 118.6(4) . . ?
C12 C11 H11 120.7 . . ?
C10 C11 H11 120.7 . . ?
N3 C12 C11 122.2(4) . . ?
N3 C12 H12 118.9 . . ?
C11 C12 H12 118.9 . . ?
C14 C13 C22 122.8(7) . . ?
C14 C13 S1 115.5(5) . . ?
C22 C13 S1 120.8(6) . . ?
C13 C14 C15 119.9(7) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C20 C15 C14 118.6(7) . . ?
C20 C15 C16 121.3(8) . . ?
C14 C15 C16 120.1(8) . . ?
C17 C16 C15 116.3(10) . . ?
C17 C16 H16 121.9 . . ?
C15 C16 H16 121.9 . . ?
C16 C17 C18 121.2(10) . . ?
C16 C17 H17 119.4 . . ?
C18 C17 H17 119.4 . . ?
C19 C18 C17 121.7(10) . . ?
C19 C18 H18 119.2 . . ?
C17 C18 H18 119.2 . . ?
C18 C19 C20 121.0(10) . . ?
C18 C19 H19 119.5 . . ?
C20 C19 H19 119.5 . . ?
C15 C20 C19 118.5(8) . . ?
C15 C20 C21 119.9(7) . . ?
C19 C20 C21 121.6(8) . . ?
C22 C21 C20 120.1(9) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C13 118.7(8) . . ?
C21 C22 H22 120.7 . . ?
C13 C22 H22 120.7 . . ?
C14A C13A C22A 121.3(9) . . ?
C14A C13A S1 115.2(7) . . ?
C22A C13A S1 123.4(7) . . ?
C13A C14A C15A 117.8(8) . . ?
C13A C14A H14A 121.1 . . ?
C15A C14A H14A 121.1 . . ?
C20A C15A C16A 120.6(8) . . ?
C20A C15A C14A 119.8(7) . . ?
C16A C15A C14A 119.6(8) . . ?
C17A C16A C15A 117.8(9) . . ?
C17A C16A H16A 121.1 . . ?
C15A C16A H16A 121.1 . . ?
C16A C17A C18A 119.4(10) . . ?
C16A C17A H17A 120.3 . . ?
C18A C17A H17A 120.3 . . ?
C19A C18A C17A 124.6(12) . . ?
C19A C18A H18A 117.7 . . ?
C17A C18A H18A 117.7 . . ?
C18A C19A C20A 119.1(10) . . ?
C18A C19A H19A 120.5 . . ?
C20A C19A H19A 120.5 . . ?
C15A C20A C19A 118.6(8) . . ?
C15A C20A C21A 121.1(9) . . ?
C19A C20A C21A 120.3(9) . . ?
C22A C21A C20A 114.9(11) . . ?
C22A C21A H21A 122.6 . . ?
C20A C21A H21A 122.6 . . ?
C21A C22A C13A 125.0(10) . . ?
C21A C22A H22A 117.5 . . ?
C13A C22A H22A 117.5 . . ?
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
Pt1 N1 2.028(3) . ?
Pt1 N3 2.030(3) . ?
Pt1 Cl1 2.2930(9) . ?
Pt1 Cl2 2.2980(9) . ?
S1 O1A 1.340(7) . ?
S1 O2 1.350(5) . ?
S1 O1 1.532(5) . ?
S1 O2A 1.601(7) . ?
S1 N2 1.627(3) . ?
S1 C13A 1.728(9) . ?
S1 C13 1.759(6) . ?
N1 C1 1.342(5) . ?
N1 C5 1.358(5) . ?
N2 C7 1.468(5) . ?
N2 C6 1.477(5) . ?
N3 C12 1.340(5) . ?
N3 C8 1.362(5) . ?
C1 C2 1.377(5) . ?
C1 H1 0.9500 . ?
C2 C3 1.378(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.374(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.507(5) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.509(5) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.388(6) . ?
C9 C10 1.373(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.388(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.377(5) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.368(9) . ?
C13 C22 1.415(9) . ?
C14 C15 1.419(9) . ?
C14 H14 0.9500 . ?
C15 C20 1.403(10) . ?
C15 C16 1.439(11) . ?
C16 C17 1.381(12) . ?
C16 H16 0.9500 . ?
C17 C18 1.445(12) . ?
C17 H17 0.9500 . ?
C18 C19 1.283(11) . ?
C18 H18 0.9500 . ?
C19 C20 1.434(10) . ?
C19 H19 0.9500 . ?
C20 C21 1.463(11) . ?
C21 C22 1.361(10) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C13A C14A 1.372(10) . ?
C13A C22A 1.391(12) . ?
C14A C15A 1.435(11) . ?
C14A H14A 0.9500 . ?
C15A C20A 1.402(11) . ?
C15A C16A 1.434(11) . ?
C16A C17A 1.358(12) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.427(13) . ?
C17A H17A 0.9500 . ?
C18A C19A 1.274(13) . ?
C18A H18A 0.9500 . ?
C19A C20A 1.433(11) . ?
C19A H19A 0.9500 . ?
C20A C21A 1.475(13) . ?
C21A C22A 1.345(12) . ?
C21A H21A 0.9500 . ?
C22A H22A 0.9500 . ?
