#------------------------------------------------------------------------------
#$Date: 2023-07-05 13:08:29 +0300 (Wed, 05 Jul 2023) $
#$Revision: 284919 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/67/7246767.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_7246767
loop_
_publ_author_name
'Klongdee, Fatima'
'Chainok, Kittipong'
'Youngme, Sujittra'
'Boonmak, Jaursup'
_publ_section_title
;
 Variations in the structural composition of pyrazole-3,5-dicarboxylato
 Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different
 conditions
;
_journal_issue                   25
_journal_name_full               CrystEngComm
_journal_page_first              3628
_journal_page_last               3636
_journal_paper_doi               10.1039/D3CE00384A
_journal_volume                  25
_journal_year                    2023
_chemical_formula_sum            'C22 H28 Cu2 N6 O14'
_chemical_formula_weight         727.58
_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
;
2022-11-04 deposited with the CCDC.	2023-05-10 downloaded from the CCDC.
;
_cell_angle_alpha                95.5870(10)
_cell_angle_beta                 101.6810(10)
_cell_angle_gamma                107.0460(10)
_cell_formula_units_Z            2
_cell_length_a                   8.5539(4)
_cell_length_b                   11.9045(5)
_cell_length_c                   14.8119(7)
_cell_measurement_reflns_used    9076
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.328
_cell_measurement_theta_min      2.831
_cell_volume                     1392.25(11)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       BrukerAPEX2
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    SHELXL
_computing_publication_material  SHELXL
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
;
Bruker D8 QUEST PHOTON 100
;
_diffrn_measurement_method       '\fandω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0518
_diffrn_reflns_av_unetI/netI     0.0336
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            48374
_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         26.372
_diffrn_reflns_theta_min         2.831
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.609
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6124
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2014/5
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.736
_exptl_crystal_description       block
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.271
_refine_diff_density_min         -0.561
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     454
_refine_ls_number_reflns         5686
_refine_ls_number_restraints     331
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0512
_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)+(0.0801P)²+2.1722P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1317
_refine_ls_wR_factor_ref         0.1456
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4268
_reflns_number_total             5686
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3ce00384a2.cif
_cod_data_source_block           compound2
_cod_depositor_comments
'Adding full bibliography for 7246767--7246772.cif.'
_cod_database_code               7246767
_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   0.818
_shelx_estimated_absorpt_t_max   0.938
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
Cu1 Cu 0.12691(6) 0.73738(4) 0.31884(3) 0.02915(16) Uani 1 1 d . . . A 1
Cu2 Cu 0.43942(6) 0.69403(4) 0.54132(3) 0.03054(16) Uani 1 1 d . . . A 1
O1 O 0.1867(3) 0.8641(3) 0.23666(19) 0.0361(7) Uani 1 1 d . U . A 1
O2 O 0.3908(4) 1.0246(3) 0.2254(2) 0.0469(8) Uani 1 1 d . U . A 1
O3 O 0.6774(3) 0.7952(3) 0.59702(19) 0.0352(7) Uani 1 1 d . U . A 1
O4 O 0.8858(4) 0.9425(3) 0.5743(2) 0.0420(7) Uani 1 1 d . U . A 1
O5 O -0.0800(3) 0.6065(3) 0.23525(19) 0.0351(7) Uani 1 1 d . U . A 1
O6 O -0.2401(4) 0.4172(3) 0.2256(2) 0.0434(8) Uani 1 1 d . U . A 1
O7 O 0.4298(3) 0.5404(2) 0.59039(19) 0.0345(6) Uani 1 1 d . U . A 1
O8 O 0.2688(4) 0.3517(2) 0.5703(2) 0.0389(7) Uani 1 1 d . U . A 1
O9 O 0.3312(5) 0.1154(4) 0.0558(3) 0.0617(10) Uani 1 1 d D . . B 1
O10 O 0.5574(6) 0.6329(5) 0.8991(4) 0.0825(14) Uani 1 1 d D . . C 1
O11 O 0.8109(5) 0.6182(4) 0.0446(3) 0.0638(10) Uani 1 1 d D . . D 1
O12 O 0.9127(6) 0.8672(5) 0.0959(4) 0.0841(14) Uani 1 1 d D . . E 1
O13 O 0.3654(3) 0.7644(2) 0.67136(17) 0.0217(5) Uani 1 1 d D . . A 1
O14 O -0.0328(4) 0.8204(3) 0.3770(3) 0.0234(8) Uani 0.7 1 d D U P A 1
O14A O 0.0524(10) 0.8110(7) 0.4602(7) 0.030(2) Uani 0.3 1 d . U P F 2
N1 N 0.3551(4) 0.8279(3) 0.3866(2) 0.0302(7) Uani 1 1 d . U . A 1
N2 N 0.4581(4) 0.8126(3) 0.4606(2) 0.0311(7) Uani 1 1 d . U . A 1
N3 N 0.1233(4) 0.6059(3) 0.3865(2) 0.0304(7) Uani 1 1 d . U . A 1
N4 N 0.2306(4) 0.5920(3) 0.4597(2) 0.0299(7) Uani 1 1 d . U . A 1
N5 N 0.4644(5) 0.3515(4) 0.7348(3) 0.0461(9) Uani 1 1 d . U . G 1
H5 H 0.4031 0.3578 0.6831 0.055 Uiso 1 1 calc R U . G 1
N6 N 1.0291(10) 0.1473(6) 1.2545(3) 0.0974(19) Uani 1 1 d . U . G 1
H6 H 1.0858 0.1362 1.3059 0.117 Uiso 1 1 calc R U . G 1
C1 C 0.3337(5) 0.9405(4) 0.2640(3) 0.0320(9) Uani 1 1 d . U . A 1
C2 C 0.4400(5) 0.9197(3) 0.3508(3) 0.0302(8) Uani 1 1 d . U . A 1
C3 C 0.6053(5) 0.9652(4) 0.4040(3) 0.0316(9) Uani 1 1 d . U . A 1
H3 H 0.6919 1.0286 0.3954 0.038 Uiso 1 1 calc R U . A 1
C4 C 0.6118(5) 0.8943(3) 0.4734(3) 0.0296(8) Uani 1 1 d . U . A 1
C5 C 0.7374(5) 0.8783(4) 0.5533(3) 0.0302(8) Uani 1 1 d . U . A 1
C6 C -0.1165(5) 0.5057(3) 0.2633(3) 0.0296(8) Uani 1 1 d . U . A 1
C7 C 0.0066(5) 0.5003(3) 0.3493(3) 0.0270(8) Uani 1 1 d . U . A 1
C8 C 0.0403(5) 0.4143(4) 0.4003(3) 0.0304(8) Uani 1 1 d . U . A 1
H8 H -0.0199 0.3334 0.3902 0.037 Uiso 1 1 calc R U . A 1
C9 C 0.1836(5) 0.4765(3) 0.4692(3) 0.0275(8) Uani 1 1 d . U . A 1
C10 C 0.3018(5) 0.4524(3) 0.5485(3) 0.0292(8) Uani 1 1 d . U . A 1
C11 C 0.6252(7) 0.4180(5) 0.7604(3) 0.0481(11) Uani 1 1 d . U . G 1
H11 H 0.6692 0.4720 0.7234 0.058 Uiso 1 1 calc R U . G 1
C12 C 0.7260(6) 0.4076(5) 0.8404(3) 0.0457(11) Uani 1 1 d . U . G 1
H12 H 0.8392 0.4537 0.8576 0.055 Uiso 1 1 calc R U . G 1
C13 C 0.6612(6) 0.3289(4) 0.8963(3) 0.0377(9) Uani 1 1 d . U . G 1
C14 C 0.4910(6) 0.2627(5) 0.8680(3) 0.0458(11) Uani 1 1 d . U . G 1
H14 H 0.4423 0.2099 0.9046 0.055 Uiso 1 1 calc R U . G 1
C15 C 0.3953(6) 0.2758(5) 0.7861(3) 0.0500(12) Uani 1 1 d . U . G 1
H15 H 0.2816 0.2312 0.7665 0.060 Uiso 1 1 calc R U . G 1
C16 C 0.7726(6) 0.3174(5) 0.9855(3) 0.0496(12) Uani 1 1 d . U . G 1
H16A H 0.8894 0.3508 0.9831 0.060 Uiso 1 1 calc R U . G 1
H16B H 0.7553 0.3643 1.0376 0.060 Uiso 1 1 calc R U . G 1
C17 C 0.7427(7) 0.1945(5) 1.0030(4) 0.0560(13) Uani 1 1 d . U . G 1
H17A H 0.7637 0.1485 0.9517 0.067 Uiso 1 1 calc R U . G 1
H17B H 0.6248 0.1604 1.0028 0.067 Uiso 1 1 calc R U . G 1
C18 C 0.8671(13) 0.0896(7) 1.2272(4) 0.0916(19) Uani 1 1 d . U . G 1
H18 H 0.8163 0.0369 1.2631 0.110 Uiso 1 1 calc R U . G 1
C19 C 0.7736(9) 0.1055(6) 1.1483(4) 0.0682(14) Uani 1 1 d . U . G 1
H19 H 0.6581 0.0657 1.1307 0.082 Uiso 1 1 calc R U . G 1
C20 C 0.8483(6) 0.1809(5) 1.0933(3) 0.0460(11) Uani 1 1 d . U . G 1
C21 C 1.0195(7) 0.2398(6) 1.1225(4) 0.0643(14) Uani 1 1 d . U . G 1
H21 H 1.0745 0.2909 1.0869 0.077 Uiso 1 1 calc R U . G 1
C22 C 1.1073(9) 0.2214(8) 1.2058(4) 0.0862(18) Uani 1 1 d . U . G 1
H22 H 1.2223 0.2616 1.2274 0.103 Uiso 1 1 calc R U . G 1
H9A H 0.317(7) 0.078(5) 0.102(3) 0.08(2) Uiso 1 1 d D . . H 1
H9B H 0.233(4) 0.083(6) 0.019(3) 0.11(3) Uiso 1 1 d D . . I 1
H10A H 0.461(4) 0.599(5) 0.861(4) 0.08(2) Uiso 1 1 d D . . J 1
H10B H 0.539(8) 0.695(4) 0.923(5) 0.13(4) Uiso 1 1 d D . . K 1
H11A H 0.708(3) 0.585(5) 0.014(3) 0.08(2) Uiso 1 1 d D . . L 1
H11B H 0.805(7) 0.591(5) 0.096(2) 0.09(2) Uiso 1 1 d D . . M 1
H12A H 1.009(4) 0.890(6) 0.135(4) 0.10(2) Uiso 1 1 d D . . N 1
H12B H 0.918(9) 0.802(4) 0.068(5) 0.13(4) Uiso 1 1 d D . . O 1
H2 H 0.452(4) 0.815(3) 0.705(2) 0.048(14) Uiso 1 1 d D . . P 1
H1 H 0.341(5) 0.712(3) 0.704(3) 0.055(15) Uiso 1 1 d D . . Q 1
H4 H -0.091(4) 0.791(3) 0.412(2) 0.024(11) Uiso 1 1 d D . . R 1
H7 H 0.004(5) 0.8926(11) 0.399(3) 0.036(12) Uiso 1 1 d D . . S 1
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'
Cu Cu 0.3201 1.2651 '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 Cu1 N3 92.70(13) . . ?
N1 Cu1 O1 79.29(12) . . ?
N3 Cu1 O1 163.54(14) . . ?
N1 Cu1 O5 162.87(13) . . ?
N3 Cu1 O5 79.26(12) . . ?
O1 Cu1 O5 104.39(11) . . ?
N1 Cu1 O14 105.56(14) . . ?
N3 Cu1 O14 102.99(14) . . ?
O1 Cu1 O14 93.06(13) . . ?
O5 Cu1 O14 91.06(13) . . ?
N4 Cu2 N2 91.96(13) . . ?
N4 Cu2 O3 165.48(13) . . ?
N2 Cu2 O3 80.52(12) . . ?
N4 Cu2 O7 80.86(12) . . ?
N2 Cu2 O7 161.84(14) . . ?
O3 Cu2 O7 102.56(11) . . ?
N4 Cu2 O13 104.85(12) . . ?
N2 Cu2 O13 108.12(12) . . ?
O3 Cu2 O13 89.35(11) . . ?
O7 Cu2 O13 89.88(10) . . ?
C1 O1 Cu1 116.1(2) . . ?
C5 O3 Cu2 115.9(2) . . ?
C6 O5 Cu1 115.5(2) . . ?
C10 O7 Cu2 114.4(2) . . ?
H9A O9 H9B 99.3(15) . . ?
H10A O10 H10B 98.7(15) . . ?
H11A O11 H11B 99.2(15) . . ?
H12A O12 H12B 98.7(15) . . ?
Cu2 O13 H2 106(3) . . ?
Cu2 O13 H1 112(3) . . ?
H2 O13 H1 103.8(16) . . ?
Cu1 O14 H4 124(2) . . ?
Cu1 O14 H7 120(3) . . ?
H4 O14 H7 103.7(16) . . ?
N2 N1 C2 108.9(3) . . ?
N2 N1 Cu1 132.8(3) . . ?
C2 N1 Cu1 118.0(3) . . ?
N1 N2 C4 109.0(3) . . ?
N1 N2 Cu2 134.1(3) . . ?
C4 N2 Cu2 116.6(3) . . ?
N4 N3 C7 108.7(3) . . ?
N4 N3 Cu1 132.5(3) . . ?
C7 N3 Cu1 118.0(2) . . ?
N3 N4 C9 108.6(3) . . ?
N3 N4 Cu2 134.3(3) . . ?
C9 N4 Cu2 116.7(2) . . ?
C15 N5 C11 122.1(4) . . ?
C15 N5 H5 118.9 . . ?
C11 N5 H5 118.9 . . ?
C18 N6 C22 122.0(5) . . ?
C18 N6 H6 119.0 . . ?
C22 N6 H6 119.0 . . ?
O2 C1 O1 125.6(4) . . ?
O2 C1 C2 120.3(4) . . ?
O1 C1 C2 114.1(3) . . ?
N1 C2 C3 109.2(3) . . ?
N1 C2 C1 112.4(3) . . ?
C3 C2 C1 138.3(4) . . ?
C2 C3 C4 104.3(3) . . ?
C2 C3 H3 127.8 . . ?
C4 C3 H3 127.8 . . ?
N2 C4 C3 108.6(3) . . ?
N2 C4 C5 111.9(3) . . ?
C3 C4 C5 139.4(4) . . ?
O4 C5 O3 123.9(4) . . ?
O4 C5 C4 121.5(4) . . ?
O3 C5 C4 114.6(3) . . ?
O6 C6 O5 125.7(4) . . ?
O6 C6 C7 120.1(4) . . ?
O5 C6 C7 114.2(3) . . ?
N3 C7 C8 109.2(3) . . ?
N3 C7 C6 112.8(3) . . ?
C8 C7 C6 137.9(4) . . ?
C9 C8 C7 104.2(3) . . ?
C9 C8 H8 127.9 . . ?
C7 C8 H8 127.9 . . ?
N4 C9 C8 109.2(3) . . ?
N4 C9 C10 112.0(3) . . ?
C8 C9 C10 138.7(4) . . ?
O8 C10 O7 124.5(4) . . ?
O8 C10 C9 119.6(4) . . ?
O7 C10 C9 115.8(3) . . ?
N5 C11 C12 120.2(5) . . ?
N5 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C11 C12 C13 120.2(5) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
C12 C13 C14 117.8(4) . . ?
C12 C13 C16 120.4(4) . . ?
C14 C13 C16 121.8(4) . . ?
C15 C14 C13 119.6(5) . . ?
C15 C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
N5 C15 C14 120.0(5) . . ?
N5 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C17 C16 C13 114.2(4) . . ?
C17 C16 H16A 108.7 . . ?
C13 C16 H16A 108.7 . . ?
C17 C16 H16B 108.7 . . ?
C13 C16 H16B 108.7 . . ?
H16A C16 H16B 107.6 . . ?
C16 C17 C20 115.3(4) . . ?
C16 C17 H17A 108.4 . . ?
C20 C17 H17A 108.4 . . ?
C16 C17 H17B 108.4 . . ?
C20 C17 H17B 108.4 . . ?
H17A C17 H17B 107.5 . . ?
N6 C18 C19 121.0(7) . . ?
N6 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
C18 C19 C20 120.0(7) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
C19 C20 C21 118.3(5) . . ?
C19 C20 C17 119.4(5) . . ?
C21 C20 C17 122.3(5) . . ?
C20 C21 C22 118.6(7) . . ?
C20 C21 H21 120.7 . . ?
C22 C21 H21 120.7 . . ?
N6 C22 C21 120.2(7) . . ?
N6 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
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
Cu1 N1 1.934(3) . ?
Cu1 N3 1.935(3) . ?
Cu1 O1 2.043(3) . ?
Cu1 O5 2.053(3) . ?
Cu1 O14 2.165(4) . ?
Cu2 N4 1.922(3) . ?
Cu2 N2 1.929(3) . ?
Cu2 O3 1.991(3) . ?
Cu2 O7 2.018(3) . ?
Cu2 O13 2.303(3) . ?
O1 C1 1.274(5) . ?
O2 C1 1.227(5) . ?
O3 C5 1.274(5) . ?
O4 C5 1.232(5) . ?
O5 C6 1.280(5) . ?
O6 C6 1.238(5) . ?
O7 C10 1.268(5) . ?
O8 C10 1.239(5) . ?
O9 H9A 0.855(10) . ?
O9 H9B 0.854(10) . ?
O10 H10A 0.856(10) . ?
O10 H10B 0.857(10) . ?
O11 H11A 0.854(10) . ?
O11 H11B 0.856(10) . ?
O12 H12A 0.857(10) . ?
O12 H12B 0.858(10) . ?
O13 H2 0.829(10) . ?
O13 H1 0.831(10) . ?
O14 H4 0.827(10) . ?
O14 H7 0.830(10) . ?
N1 N2 1.324(4) . ?
N1 C2 1.344(5) . ?
N2 C4 1.350(5) . ?
N3 N4 1.329(4) . ?
N3 C7 1.337(5) . ?
N4 C9 1.345(5) . ?
N5 C15 1.320(6) . ?
N5 C11 1.324(6) . ?
N5 H5 0.8600 . ?
N6 C18 1.310(10) . ?
N6 C22 1.311(10) . ?
N6 H6 0.8600 . ?
C1 C2 1.505(5) . ?
C2 C3 1.389(6) . ?
C3 C4 1.395(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.497(5) . ?
C6 C7 1.500(5) . ?
C7 C8 1.392(5) . ?
C8 C9 1.381(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.496(5) . ?
C11 C12 1.357(7) . ?
C11 H11 0.9300 . ?
C12 C13 1.379(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.391(6) . ?
C13 C16 1.508(6) . ?
C14 C15 1.370(6) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C17 1.468(7) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C20 1.507(6) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C19 1.340(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.376(8) . ?
C19 H19 0.9300 . ?
C20 C21 1.380(8) . ?
C21 C22 1.382(8) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
