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#$Date: 2021-10-15 02:03:48 +0300 (Fri, 15 Oct 2021) $
#$Revision: 269957 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/85/7708558.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_7708558
loop_
_publ_author_name
'Üstün, Elvan'
'Şahin, Neslihan'
'Çelik, Cem'
'Tutar, Uğur'
'Özdemir, Namık'
'Gürbüz, Nevin'
'Özdemir, İsmail'
_publ_section_title
;
 Synthesis, characterization, antimicrobial and antibiofilm activity, and
 molecular docking analysis of NHC precursors and their Ag-NHC complexes
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT02003J
_journal_year                    2021
_chemical_formula_moiety         'C23 H28 Ag Cl N2'
_chemical_formula_sum            'C23 H28 Ag Cl N2'
_chemical_formula_weight         475.79
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-03-18 deposited with the CCDC.	2021-09-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.879(5)
_cell_angle_beta                 104.275(5)
_cell_angle_gamma                115.012(4)
_cell_formula_units_Z            2
_cell_length_a                   10.1252(6)
_cell_length_b                   10.6418(6)
_cell_length_c                   11.6214(7)
_cell_measurement_reflns_used    38289
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.16
_cell_measurement_theta_min      2.35
_cell_volume                     1089.49(12)
_computing_cell_refinement       X-AREA
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2002)'
_computing_molecular_graphics    'OLEX2 (Dolomanov et al., 2009)'
_computing_publication_material
'OLEX2 (Dolomanov et al., 2009) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SUPERFLIP (Palatinus & Chapuis, 2007)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_collimation    '0.8 mm diameter, multiple pinhole'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0488
_diffrn_reflns_av_unetI/netI     0.0271
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            23139
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.867
_diffrn_reflns_theta_min         2.356
_diffrn_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_exptl_absorpt_coefficient_mu    1.057
_exptl_absorpt_correction_T_max  0.8276
_exptl_absorpt_correction_T_min  0.5265
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'X-RED32 (Stoe & Cie, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.450
_exptl_crystal_description       prism
_exptl_crystal_F_000             488
_exptl_crystal_size_max          0.780
_exptl_crystal_size_mid          0.270
_exptl_crystal_size_min          0.230
_refine_diff_density_max         0.312
_refine_diff_density_min         -0.446
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         5131
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0319
_refine_ls_R_factor_gt           0.0267
_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)+(0.0337P)²+0.3007P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0697
_refine_ls_wR_factor_ref         0.0725
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4559
_reflns_number_total             5131
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt02003j3.cif
_cod_data_source_block           namiko231
_cod_database_code               7708558
_shelx_shelxl_version_number     2018/3
_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   0.493
_shelx_estimated_absorpt_t_max   0.793
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
Ag1 Ag 0.48000(2) 0.81032(2) 0.33798(2) 0.05349(7) Uani 1 1 d . . . . .
Cl1 Cl 0.35536(8) 0.94841(7) 0.27487(6) 0.06740(15) Uani 1 1 d . . . . .
N1 N 0.67850(19) 0.68982(16) 0.50108(14) 0.0442(3) Uani 1 1 d . . . . .
N2 N 0.56180(18) 0.56161(16) 0.32779(14) 0.0425(3) Uani 1 1 d . . . . .
C1 C 0.5823(2) 0.6793(2) 0.39265(18) 0.0450(4) Uani 1 1 d . . . . .
C2 C 0.7195(2) 0.57947(18) 0.50553(16) 0.0414(4) Uani 1 1 d . . . . .
C3 C 0.8190(2) 0.5478(2) 0.59298(17) 0.0454(4) Uani 1 1 d . . . . .
H3 H 0.872659 0.605517 0.665882 0.054 Uiso 1 1 calc R U . . .
C4 C 0.8358(2) 0.4282(2) 0.56838(18) 0.0458(4) Uani 1 1 d . . . . .
C5 C 0.9489(3) 0.3952(3) 0.6587(2) 0.0581(5) Uani 1 1 d . . . . .
H5A H 0.896929 0.305629 0.682880 0.087 Uiso 1 1 calc R U . . .
H5B H 0.997317 0.465895 0.727453 0.087 Uiso 1 1 calc R U . . .
H5C H 1.024025 0.393174 0.622932 0.087 Uiso 1 1 calc R U . . .
C6 C 0.7518(2) 0.33947(19) 0.45776(18) 0.0451(4) Uani 1 1 d . . . . .
C7 C 0.7682(3) 0.2072(2) 0.4325(2) 0.0619(5) Uani 1 1 d . . . . .
H7A H 0.737958 0.146337 0.490882 0.093 Uiso 1 1 calc R U . . .
H7B H 0.872174 0.231173 0.436818 0.093 Uiso 1 1 calc R U . . .
H7C H 0.704978 0.160363 0.353834 0.093 Uiso 1 1 calc R U . . .
C8 C 0.6543(2) 0.37254(19) 0.37041(18) 0.0443(4) Uani 1 1 d . . . . .
H8 H 0.599139 0.314633 0.297762 0.053 Uiso 1 1 calc R U . . .
C9 C 0.6419(2) 0.49576(18) 0.39528(16) 0.0401(4) Uani 1 1 d . . . . .
C10 C 0.7343(3) 0.8032(2) 0.6000(2) 0.0547(5) Uani 1 1 d . . . . .
H10A H 0.728809 0.763556 0.674260 0.066 Uiso 1 1 calc R U . . .
H10B H 0.669338 0.850387 0.586181 0.066 Uiso 1 1 calc R U . . .
C11 C 0.8933(3) 0.9069(3) 0.6123(3) 0.0796(8) Uani 1 1 d . . . . .
H11 H 0.910057 0.948582 0.544171 0.095 Uiso 1 1 calc R U . . .
C12 C 1.0063(5) 0.9460(5) 0.6995(4) 0.1251(15) Uani 1 1 d . . . . .
H12A H 0.998070 0.908826 0.770700 0.150 Uiso 1 1 calc R U . . .
H12B H 1.099662 1.012554 0.693948 0.150 Uiso 1 1 calc R U . . .
C13 C 0.4679(2) 0.5091(2) 0.20255(18) 0.0502(4) Uani 1 1 d . . . . .
H13A H 0.361988 0.463141 0.201700 0.060 Uiso 1 1 calc R U . . .
H13B H 0.492446 0.439358 0.170817 0.060 Uiso 1 1 calc R U . . .
C14 C 0.4886(2) 0.62208(19) 0.12022(16) 0.0439(4) Uani 1 1 d . . . . .
C15 C 0.6296(2) 0.6909(2) 0.09493(17) 0.0470(4) Uani 1 1 d . . . . .
C16 C 0.7604(3) 0.6584(3) 0.1530(2) 0.0620(5) Uani 1 1 d . . . . .
H16A H 0.846991 0.714655 0.126169 0.093 Uiso 1 1 d R U . . .
H16B H 0.785245 0.678489 0.238500 0.093 Uiso 1 1 d R U . . .
H16C H 0.731826 0.561120 0.131132 0.093 Uiso 1 1 d R U . . .
C17 C 0.6475(3) 0.7912(2) 0.01521(18) 0.0526(5) Uani 1 1 d . . . . .
C18 C 0.7945(3) 0.8665(3) -0.0193(3) 0.0748(7) Uani 1 1 d . . . . .
H18A H 0.782876 0.927936 -0.076346 0.112 Uiso 1 1 d R U . . .
H18B H 0.875554 0.919953 0.050766 0.112 Uiso 1 1 d R U . . .
H18C H 0.817726 0.798723 -0.054267 0.112 Uiso 1 1 d R U . . .
C19 C 0.5259(3) 0.8196(2) -0.03609(18) 0.0561(5) Uani 1 1 d . . . . .
H19 H 0.538533 0.886442 -0.088284 0.067 Uiso 1 1 calc R U . . .
C20 C 0.3858(3) 0.7525(2) -0.01290(18) 0.0531(5) Uani 1 1 d . . . . .
C21 C 0.2589(3) 0.7899(3) -0.0728(2) 0.0769(7) Uani 1 1 d . . . . .
H21A H 0.294206 0.860472 -0.123038 0.115 Uiso 1 1 d R U . . .
H21B H 0.174241 0.708092 -0.120717 0.115 Uiso 1 1 d R U . . .
H21C H 0.227932 0.824921 -0.012837 0.115 Uiso 1 1 d R U . . .
C22 C 0.3659(2) 0.6515(2) 0.06624(17) 0.0484(4) Uani 1 1 d . . . . .
C23 C 0.2125(3) 0.5776(3) 0.0902(3) 0.0693(6) Uani 1 1 d . . . . .
H23A H 0.144824 0.612220 0.045243 0.104 Uiso 1 1 d R U . . .
H23B H 0.171722 0.478713 0.066292 0.104 Uiso 1 1 d R U . . .
H23C H 0.223844 0.595131 0.174142 0.104 Uiso 1 1 d R 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'
Ag Ag -0.8971 1.1015 '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'
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
C1 Ag1 Cl1 177.51(5) . . ?
C1 N1 C2 111.08(15) . . ?
C1 N1 C10 124.59(17) . . ?
C2 N1 C10 124.33(17) . . ?
C1 N2 C9 111.11(15) . . ?
C1 N2 C13 125.13(16) . . ?
C9 N2 C13 123.77(16) . . ?
N1 C1 N2 105.50(15) . . ?
N1 C1 Ag1 127.66(14) . . ?
N2 C1 Ag1 126.80(14) . . ?
C9 C2 C3 121.13(17) . . ?
C9 C2 N1 106.09(16) . . ?
C3 C2 N1 132.74(18) . . ?
C4 C3 C2 118.40(18) . . ?
C4 C3 H3 120.8 . . ?
C2 C3 H3 120.8 . . ?
C3 C4 C6 120.49(17) . . ?
C3 C4 C5 119.60(19) . . ?
C6 C4 C5 119.87(19) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C8 C6 C4 120.82(17) . . ?
C8 C6 C7 118.97(19) . . ?
C4 C6 C7 120.21(18) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 C9 117.98(18) . . ?
C6 C8 H8 121.0 . . ?
C9 C8 H8 121.0 . . ?
C2 C9 N2 106.18(15) . . ?
C2 C9 C8 121.09(17) . . ?
N2 C9 C8 132.73(17) . . ?
N1 C10 C11 112.14(19) . . ?
N1 C10 H10A 109.2 . . ?
C11 C10 H10A 109.2 . . ?
N1 C10 H10B 109.2 . . ?
C11 C10 H10B 109.2 . . ?
H10A C10 H10B 107.9 . . ?
C12 C11 C10 129.5(4) . . ?
C12 C11 H11 115.2 . . ?
C10 C11 H11 115.2 . . ?
C11 C12 H12A 120.0 . . ?
C11 C12 H12B 120.0 . . ?
H12A C12 H12B 120.0 . . ?
N2 C13 C14 114.23(16) . . ?
N2 C13 H13A 108.7 . . ?
C14 C13 H13A 108.7 . . ?
N2 C13 H13B 108.7 . . ?
C14 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
C22 C14 C15 121.06(18) . . ?
C22 C14 C13 120.01(18) . . ?
C15 C14 C13 118.85(17) . . ?
C17 C15 C14 119.12(18) . . ?
C17 C15 C16 120.2(2) . . ?
C14 C15 C16 120.67(18) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.4 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C19 C17 C15 119.0(2) . . ?
C19 C17 C18 118.9(2) . . ?
C15 C17 C18 122.1(2) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.6 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.3 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 C20 122.84(19) . . ?
C17 C19 H19 118.6 . . ?
C20 C19 H19 118.6 . . ?
C19 C20 C22 118.91(19) . . ?
C19 C20 C21 119.4(2) . . ?
C22 C20 C21 121.7(2) . . ?
C20 C21 H21A 109.3 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.6 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 C14 119.10(19) . . ?
C20 C22 C23 118.68(19) . . ?
C14 C22 C23 122.21(19) . . ?
C22 C23 H23A 109.4 . . ?
C22 C23 H23B 109.6 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 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
Ag1 C1 2.0838(18) . ?
Ag1 Cl1 2.3313(6) . ?
N1 C1 1.359(3) . ?
N1 C2 1.399(2) . ?
N1 C10 1.469(3) . ?
N2 C1 1.362(2) . ?
N2 C9 1.396(2) . ?
N2 C13 1.476(2) . ?
C2 C9 1.389(3) . ?
C2 C3 1.398(3) . ?
C3 C4 1.388(3) . ?
C3 H3 0.9300 . ?
C4 C6 1.418(3) . ?
C4 C5 1.514(3) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 C8 1.392(3) . ?
C6 C7 1.519(3) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.402(3) . ?
C8 H8 0.9300 . ?
C10 C11 1.486(4) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.233(5) . ?
C11 H11 0.9300 . ?
C12 H12A 0.9300 . ?
C12 H12B 0.9300 . ?
C13 C14 1.525(3) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C22 1.409(3) . ?
C14 C15 1.410(3) . ?
C15 C17 1.407(3) . ?
C15 C16 1.510(3) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C19 1.386(3) . ?
C17 C18 1.521(3) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.390(3) . ?
C19 H19 0.9300 . ?
C20 C22 1.408(3) . ?
C20 C21 1.515(3) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C23 1.515(3) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 N1 C1 N2 0.1(2) . . . . ?
C10 N1 C1 N2 179.10(17) . . . . ?
C2 N1 C1 Ag1 177.91(13) . . . . ?
C10 N1 C1 Ag1 -3.1(3) . . . . ?
C9 N2 C1 N1 1.3(2) . . . . ?
C13 N2 C1 N1 -178.66(17) . . . . ?
C9 N2 C1 Ag1 -176.60(13) . . . . ?
C13 N2 C1 Ag1 3.5(3) . . . . ?
C1 N1 C2 C9 -1.3(2) . . . . ?
C10 N1 C2 C9 179.63(17) . . . . ?
C1 N1 C2 C3 176.51(19) . . . . ?
C10 N1 C2 C3 -2.5(3) . . . . ?
C9 C2 C3 C4 -1.6(3) . . . . ?
N1 C2 C3 C4 -179.22(18) . . . . ?
C2 C3 C4 C6 -1.0(3) . . . . ?
C2 C3 C4 C5 176.81(17) . . . . ?
C3 C4 C6 C8 1.9(3) . . . . ?
C5 C4 C6 C8 -175.94(18) . . . . ?
C3 C4 C6 C7 -178.72(18) . . . . ?
C5 C4 C6 C7 3.5(3) . . . . ?
C4 C6 C8 C9 -0.1(3) . . . . ?
C7 C6 C8 C9 -179.47(17) . . . . ?
C3 C2 C9 N2 -176.14(16) . . . . ?
N1 C2 C9 N2 2.01(19) . . . . ?
C3 C2 C9 C8 3.5(3) . . . . ?
N1 C2 C9 C8 -178.32(16) . . . . ?
C1 N2 C9 C2 -2.1(2) . . . . ?
C13 N2 C9 C2 177.83(17) . . . . ?
C1 N2 C9 C8 178.29(19) . . . . ?
C13 N2 C9 C8 -1.8(3) . . . . ?
C6 C8 C9 C2 -2.6(3) . . . . ?
C6 C8 C9 N2 176.96(18) . . . . ?
C1 N1 C10 C11 -103.2(3) . . . . ?
C2 N1 C10 C11 75.7(3) . . . . ?
N1 C10 C11 C12 -122.9(4) . . . . ?
C1 N2 C13 C14 43.9(3) . . . . ?
C9 N2 C13 C14 -136.05(18) . . . . ?
N2 C13 C14 C22 -116.5(2) . . . . ?
N2 C13 C14 C15 66.6(2) . . . . ?
C22 C14 C15 C17 0.6(3) . . . . ?
C13 C14 C15 C17 177.45(18) . . . . ?
C22 C14 C15 C16 -179.83(19) . . . . ?
C13 C14 C15 C16 -2.9(3) . . . . ?
C14 C15 C17 C19 0.1(3) . . . . ?
C16 C15 C17 C19 -179.5(2) . . . . ?
C14 C15 C17 C18 -178.1(2) . . . . ?
C16 C15 C17 C18 2.2(3) . . . . ?
C15 C17 C19 C20 -0.4(3) . . . . ?
C18 C17 C19 C20 177.8(2) . . . . ?
C17 C19 C20 C22 0.2(3) . . . . ?
C17 C19 C20 C21 180.0(2) . . . . ?
C19 C20 C22 C14 0.5(3) . . . . ?
C21 C20 C22 C14 -179.4(2) . . . . ?
C19 C20 C22 C23 -179.4(2) . . . . ?
C21 C20 C22 C23 0.8(3) . . . . ?
C15 C14 C22 C20 -0.8(3) . . . . ?
C13 C14 C22 C20 -177.69(18) . . . . ?
C15 C14 C22 C23 179.0(2) . . . . ?
C13 C14 C22 C23 2.1(3) . . . . ?
