#------------------------------------------------------------------------------
#$Date: 2023-02-22 10:38:41 +0200 (Wed, 22 Feb 2023) $
#$Revision: 281080 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/63/7246318.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_7246318
loop_
_publ_author_name
'Liao, Tsung-Te'
'Lin, Shu-Yu'
'Chen, Jhy-Der'
_publ_section_title
;
 Co(ii) coordination polymers supported by a benzenetetracarboxylate and
 bis-pyridyl-bis-amides with different flexibilities
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D2CE01648F
_journal_year                    2023
_chemical_formula_sum            'C23 H27 Co N4 O8'
_chemical_formula_weight         546.41
_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   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-12-02 deposited with the CCDC.	2023-02-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.2063(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.6212(2)
_cell_length_b                   15.9790(2)
_cell_length_c                   17.1168(2)
_cell_measurement_reflns_used    9966
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.22
_cell_volume                     4681.00(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0185
_diffrn_reflns_av_unetI/netI     0.0166
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            22753
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.268
_diffrn_reflns_theta_min         1.744
_exptl_absorpt_coefficient_mu    0.791
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5931
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sadabs v2008/1(bruker axs, 2008)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_description       block
_exptl_crystal_F_000             2272
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.364
_refine_diff_density_min         -0.413
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         5813
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0281
_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)+(0.0418P)²+3.2135P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0752
_refine_ls_wR_factor_ref         0.0792
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4958
_reflns_number_total             5813
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2ce01648f2.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'multi_scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7246318
_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   0.693
_shelx_estimated_absorpt_t_max   0.797
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
Co1 Co 0.0000 0.5000 0.0000 0.01782(7) Uani 1 2 d S . P . .
Co2 Co 0.0000 0.0000 0.0000 0.01738(7) Uani 1 2 d S . P . .
O1 O 0.26295(7) 0.49268(8) 0.36608(9) 0.0459(3) Uani 1 1 d . . . . .
O2 O 0.26690(8) 0.03882(10) 0.37459(11) 0.0719(5) Uani 1 1 d . . . . .
O3 O -0.01857(5) 0.40921(5) 0.08362(5) 0.02152(19) Uani 1 1 d . . . . .
O4 O 0.08044(6) 0.32047(6) 0.10311(6) 0.0275(2) Uani 1 1 d . . . . .
O5 O 0.02006(5) 0.08798(5) 0.10514(5) 0.02102(18) Uani 1 1 d . . . . .
O6 O -0.05686(6) 0.19221(6) 0.03059(5) 0.0314(2) Uani 1 1 d . . . . .
O7 O 0.10953(6) 0.44932(7) 0.02440(6) 0.0257(2) Uani 1 1 d . . . . .
O8 O 0.09173(6) -0.07058(6) 0.08084(6) 0.0247(2) Uani 1 1 d . . . . .
N1 N 0.04810(7) 0.58523(7) 0.10892(7) 0.0248(2) Uani 1 1 d . . . . .
N2 N 0.14259(7) 0.49557(8) 0.36639(7) 0.0284(3) Uani 1 1 d . . . . .
H2A H 0.1038 0.4672 0.3677 0.034 Uiso 1 1 calc R U . . .
N3 N 0.15136(8) 0.02271(8) 0.26621(8) 0.0318(3) Uani 1 1 d . . . . .
H3A H 0.1117 0.0462 0.2275 0.038 Uiso 1 1 calc R U . . .
N4 N 0.07807(7) -0.07219(7) 0.45918(7) 0.0244(2) Uani 1 1 d . . . . .
C1 C 0.03826(11) 0.66752(9) 0.09523(9) 0.0377(4) Uani 1 1 d . . . . .
H1A H 0.0177 0.6867 0.0394 0.045 Uiso 1 1 calc R U . . .
C2 C 0.05716(13) 0.72522(10) 0.16012(10) 0.0493(5) Uani 1 1 d . . . . .
H2B H 0.0498 0.7821 0.1483 0.059 Uiso 1 1 calc R U . . .
C3 C 0.08712(11) 0.69716(10) 0.24258(9) 0.0409(4) Uani 1 1 d . . . . .
H3B H 0.0987 0.7350 0.2871 0.049 Uiso 1 1 calc R U . . .
C4 C 0.10007(8) 0.61243(9) 0.25941(8) 0.0243(3) Uani 1 1 d . . . . .
C5 C 0.07980(7) 0.55898(8) 0.19051(8) 0.0231(3) Uani 1 1 d . . . . .
H5A H 0.0885 0.5020 0.2009 0.028 Uiso 1 1 calc R U . . .
C6 C 0.13410(9) 0.58468(10) 0.35107(8) 0.0312(3) Uani 1 1 d . . . . .
H6A H 0.1852 0.6103 0.3786 0.037 Uiso 1 1 calc R U . . .
H6B H 0.1013 0.6065 0.3785 0.037 Uiso 1 1 calc R U . . .
C7 C 0.20965(8) 0.45648(10) 0.37857(9) 0.0310(3) Uani 1 1 d . . . . .
C8 C 0.21562(10) 0.36632(10) 0.40518(10) 0.0369(3) Uani 1 1 d . . . . .
H8A H 0.1705 0.3516 0.4173 0.044 Uiso 1 1 calc R U . . .
H8B H 0.2620 0.3586 0.4568 0.044 Uiso 1 1 calc R U . . .
C9 C 0.21974(10) 0.30874(10) 0.33629(10) 0.0375(3) Uani 1 1 d . . . . .
H9A H 0.1751 0.3192 0.2837 0.045 Uiso 1 1 calc R U . . .
H9B H 0.2666 0.3213 0.3267 0.045 Uiso 1 1 calc R U . . .
C10 C 0.22065(10) 0.21687(11) 0.35991(11) 0.0407(4) Uani 1 1 d . . . . .
H10A H 0.2688 0.2050 0.4082 0.049 Uiso 1 1 calc R U . . .
H10B H 0.1776 0.2062 0.3769 0.049 Uiso 1 1 calc R U . . .
C11 C 0.21399(10) 0.15828(10) 0.28740(11) 0.0398(4) Uani 1 1 d . . . . .
H11A H 0.1663 0.1705 0.2386 0.048 Uiso 1 1 calc R U . . .
H11B H 0.2577 0.1677 0.2711 0.048 Uiso 1 1 calc R U . . .
C12 C 0.21338(9) 0.06842(11) 0.31240(11) 0.0384(4) Uani 1 1 d . . . . .
C13 C 0.15060(12) -0.06637(10) 0.28091(11) 0.0436(4) Uani 1 1 d . . . . .
H13A H 0.1988 -0.0903 0.2819 0.052 Uiso 1 1 calc R U . . .
H13B H 0.1079 -0.0912 0.2334 0.052 Uiso 1 1 calc R U . . .
C14 C 0.14188(8) -0.09037(9) 0.36228(8) 0.0274(3) Uani 1 1 d . . . . .
C15 C 0.18279(10) -0.15700(12) 0.40973(10) 0.0416(4) Uani 1 1 d . . . . .
H15A H 0.2194 -0.1849 0.3949 0.050 Uiso 1 1 calc R U . . .
C16 C 0.16903(12) -0.18216(14) 0.47968(12) 0.0582(6) Uani 1 1 d . . . . .
H16A H 0.1948 -0.2285 0.5111 0.070 Uiso 1 1 calc R U . . .
C17 C 0.11689(10) -0.13819(11) 0.50259(10) 0.0394(4) Uani 1 1 d . . . . .
H17A H 0.1085 -0.1553 0.5502 0.047 Uiso 1 1 calc R U . . .
C18 C 0.09080(9) -0.05035(9) 0.38995(9) 0.0316(3) Uani 1 1 d . . . . .
H18A H 0.0631 -0.0049 0.3585 0.038 Uiso 1 1 calc R U . . .
C19 C 0.02235(7) 0.34459(7) 0.11598(7) 0.0179(2) Uani 1 1 d . . . . .
C20 C 0.00377(7) 0.29503(7) 0.18071(7) 0.0162(2) Uani 1 1 d . . . . .
C21 C 0.0000 0.33750(10) 0.2500 0.0176(3) Uani 1 2 d S T P . .
H21A H 0.0000 0.3957 0.2500 0.021 Uiso 1 2 calc R U P . .
C22 C -0.00018(7) 0.20745(7) 0.17877(7) 0.0161(2) Uani 1 1 d . . . . .
C23 C -0.01248(7) 0.15944(7) 0.09822(7) 0.0179(2) Uani 1 1 d . . . . .
C24 C 0.0000 0.16485(10) 0.2500 0.0173(3) Uani 1 2 d S T P . .
H24A H 0.0000 0.1067 0.2500 0.021 Uiso 1 2 calc R U P . .
H7C H 0.1467(12) 0.4763(13) 0.0539(13) 0.042(5) Uiso 1 1 d . . . . .
H7D H 0.1040(13) 0.4054(15) 0.0489(14) 0.060(7) Uiso 1 1 d . . . . .
H8C H 0.1379(12) -0.0538(12) 0.0967(12) 0.042(5) Uiso 1 1 d . . . . .
H8D H 0.0857(12) -0.1138(14) 0.0476(13) 0.052(6) Uiso 1 1 d . . . . .
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'
Co Co 0.3494 0.9721 '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
O7 Co1 O7 180.0 5_565 . ?
O7 Co1 O3 89.67(4) 5_565 . ?
O7 Co1 O3 90.33(4) . . ?
O7 Co1 O3 90.33(4) 5_565 5_565 ?
O7 Co1 O3 89.67(4) . 5_565 ?
O3 Co1 O3 180.0 . 5_565 ?
O7 Co1 N1 88.20(4) 5_565 . ?
O7 Co1 N1 91.80(4) . . ?
O3 Co1 N1 88.40(4) . . ?
O3 Co1 N1 91.60(4) 5_565 . ?
O7 Co1 N1 91.80(4) 5_565 5_565 ?
O7 Co1 N1 88.20(4) . 5_565 ?
O3 Co1 N1 91.60(4) . 5_565 ?
O3 Co1 N1 88.40(4) 5_565 5_565 ?
N1 Co1 N1 180.0 . 5_565 ?
O8 Co2 O8 180.00(7) . 5 ?
O8 Co2 N4 91.37(4) . 6 ?
O8 Co2 N4 88.63(4) 5 6 ?
O8 Co2 N4 88.63(4) . 2 ?
O8 Co2 N4 91.37(4) 5 2 ?
N4 Co2 N4 180.00(7) 6 2 ?
O8 Co2 O5 91.62(4) . 5 ?
O8 Co2 O5 88.38(4) 5 5 ?
N4 Co2 O5 89.75(4) 6 5 ?
N4 Co2 O5 90.25(4) 2 5 ?
O8 Co2 O5 88.38(4) . . ?
O8 Co2 O5 91.62(4) 5 . ?
N4 Co2 O5 90.25(4) 6 . ?
N4 Co2 O5 89.75(4) 2 . ?
O5 Co2 O5 180.0 5 . ?
C19 O3 Co1 127.49(8) . . ?
C23 O5 Co2 125.13(8) . . ?
Co1 O7 H7C 116.9(14) . . ?
Co1 O7 H7D 97.0(15) . . ?
H7C O7 H7D 112(2) . . ?
Co2 O8 H8C 121.1(13) . . ?
Co2 O8 H8D 97.8(13) . . ?
H8C O8 H8D 108.5(18) . . ?
C1 N1 C5 117.45(11) . . ?
C1 N1 Co1 118.69(9) . . ?
C5 N1 Co1 123.46(9) . . ?
C7 N2 C6 121.15(13) . . ?
C7 N2 H2A 119.4 . . ?
C6 N2 H2A 119.4 . . ?
C12 N3 C13 120.14(14) . . ?
C12 N3 H3A 119.9 . . ?
C13 N3 H3A 119.9 . . ?
C17 N4 C18 116.98(12) . . ?
C17 N4 Co2 121.78(9) . 2 ?
C18 N4 Co2 121.21(9) . 2 ?
N1 C1 C2 122.91(14) . . ?
N1 C1 H1A 118.5 . . ?
C2 C1 H1A 118.5 . . ?
C3 C2 C1 118.78(15) . . ?
C3 C2 H2B 120.6 . . ?
C1 C2 H2B 120.6 . . ?
C2 C3 C4 120.00(14) . . ?
C2 C3 H3B 120.0 . . ?
C4 C3 H3B 120.0 . . ?
C5 C4 C3 117.36(12) . . ?
C5 C4 C6 124.54(13) . . ?
C3 C4 C6 118.09(12) . . ?
N1 C5 C4 123.45(12) . . ?
N1 C5 H5A 118.3 . . ?
C4 C5 H5A 118.3 . . ?
N2 C6 C4 116.71(12) . . ?
N2 C6 H6A 108.1 . . ?
C4 C6 H6A 108.1 . . ?
N2 C6 H6B 108.1 . . ?
C4 C6 H6B 108.1 . . ?
H6A C6 H6B 107.3 . . ?
O1 C7 N2 121.18(14) . . ?
O1 C7 C8 122.14(14) . . ?
N2 C7 C8 116.64(13) . . ?
C7 C8 C9 111.43(12) . . ?
C7 C8 H8A 109.3 . . ?
C9 C8 H8A 109.3 . . ?
C7 C8 H8B 109.3 . . ?
C9 C8 H8B 109.3 . . ?
H8A C8 H8B 108.0 . . ?
C10 C9 C8 112.11(13) . . ?
C10 C9 H9A 109.2 . . ?
C8 C9 H9A 109.2 . . ?
C10 C9 H9B 109.2 . . ?
C8 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
C11 C10 C9 112.87(13) . . ?
C11 C10 H10A 109.0 . . ?
C9 C10 H10A 109.0 . . ?
C11 C10 H10B 109.0 . . ?
C9 C10 H10B 109.0 . . ?
H10A C10 H10B 107.8 . . ?
C12 C11 C10 111.35(14) . . ?
C12 C11 H11A 109.4 . . ?
C10 C11 H11A 109.4 . . ?
C12 C11 H11B 109.4 . . ?
C10 C11 H11B 109.4 . . ?
H11A C11 H11B 108.0 . . ?
O2 C12 N3 121.35(16) . . ?
O2 C12 C11 121.36(17) . . ?
N3 C12 C11 117.26(14) . . ?
N3 C13 C14 114.91(12) . . ?
N3 C13 H13A 108.5 . . ?
C14 C13 H13A 108.5 . . ?
N3 C13 H13B 108.5 . . ?
C14 C13 H13B 108.5 . . ?
H13A C13 H13B 107.5 . . ?
C15 C14 C18 117.02(13) . . ?
C15 C14 C13 120.32(14) . . ?
C18 C14 C13 122.57(14) . . ?
C14 C15 C16 119.33(14) . . ?
C14 C15 H15A 120.3 . . ?
C16 C15 H15A 120.3 . . ?
C17 C16 C15 119.49(15) . . ?
C17 C16 H16A 120.3 . . ?
C15 C16 H16A 120.3 . . ?
N4 C17 C16 122.42(14) . . ?
N4 C17 H17A 118.8 . . ?
C16 C17 H17A 118.8 . . ?
N4 C18 C14 124.70(13) . . ?
N4 C18 H18A 117.6 . . ?
C14 C18 H18A 117.6 . . ?
O4 C19 O3 125.87(11) . . ?
O4 C19 C20 115.68(10) . . ?
O3 C19 C20 118.31(10) . . ?
C21 C20 C22 119.16(10) . . ?
C21 C20 C19 118.22(10) . . ?
C22 C20 C19 122.14(10) . . ?
C20 C21 C20 121.65(15) . 2 ?
C20 C21 H21A 119.2 . . ?
C20 C21 H21A 119.2 2 . ?
C24 C22 C20 118.98(10) . . ?
C24 C22 C23 119.74(10) . . ?
C20 C22 C23 121.01(9) . . ?
O6 C23 O5 125.51(11) . . ?
O6 C23 C22 116.18(10) . . ?
O5 C23 C22 118.22(10) . . ?
C22 C24 C22 121.61(15) 2 . ?
C22 C24 H24A 119.2 2 . ?
C22 C24 H24A 119.2 . . ?
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
Co1 O7 2.0781(10) 5_565 ?
Co1 O7 2.0782(10) . ?
Co1 O3 2.1593(8) . ?
Co1 O3 2.1593(8) 5_565 ?
Co1 N1 2.1947(11) . ?
Co1 N1 2.1948(11) 5_565 ?
Co2 O8 2.0595(9) . ?
Co2 O8 2.0595(9) 5 ?
Co2 N4 2.1754(11) 6 ?
Co2 N4 2.1754(11) 2 ?
Co2 O5 2.1965(8) 5 ?
Co2 O5 2.1965(8) . ?
O1 C7 1.2382(19) . ?
O2 C12 1.230(2) . ?
O3 C19 1.2731(15) . ?
O4 C19 1.2471(15) . ?
O5 C23 1.2760(15) . ?
O6 C23 1.2423(15) . ?
O7 H7C 0.80(2) . ?
O7 H7D 0.84(2) . ?
O8 H8C 0.84(2) . ?
O8 H8D 0.87(2) . ?
N1 C1 1.3356(18) . ?
N1 C5 1.3509(16) . ?
N2 C7 1.3370(19) . ?
N2 C6 1.4452(19) . ?
N2 H2A 0.8600 . ?
N3 C12 1.331(2) . ?
N3 C13 1.447(2) . ?
N3 H3A 0.8600 . ?
N4 C17 1.3280(18) . ?
N4 C18 1.3429(17) . ?
N4 Co2 2.1755(11) 2 ?
C1 C2 1.378(2) . ?
C1 H1A 0.9300 . ?
C2 C3 1.372(2) . ?
C2 H2B 0.9300 . ?
C3 C4 1.385(2) . ?
C3 H3B 0.9300 . ?
C4 C5 1.3828(18) . ?
C4 C6 1.5087(18) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.502(2) . ?
C8 C9 1.521(2) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.521(2) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.520(2) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.500(2) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C13 C14 1.5138(19) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.373(2) . ?
C14 C18 1.376(2) . ?
C15 C16 1.379(2) . ?
C15 H15A 0.9300 . ?
C16 C17 1.375(2) . ?
C16 H16A 0.9300 . ?
C17 H17A 0.9300 . ?
C18 H18A 0.9300 . ?
C19 C20 1.5087(15) . ?
C20 C21 1.3921(13) . ?
C20 C22 1.4012(17) . ?
C21 C20 1.3921(13) 2 ?
C21 H21A 0.9300 . ?
C22 C24 1.3952(13) . ?
C22 C23 1.5142(15) . ?
C24 C22 1.3951(13) 2 ?
C24 H24A 0.9300 . ?
