#------------------------------------------------------------------------------
#$Date: 2024-02-04 13:54:10 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289493 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/48/7714803.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_7714803
loop_
_publ_author_name
'Gioftsidou, Dimitra K.'
'Kallitsakis, Michael G.'
'Kavaratzi, Konstantina'
'Hatzidimitriou, Antonios G.'
'Terzidis, Michael A.'
'Lykakis, Ioannis N.'
'Angaridis, Panagiotis A.'
_publ_section_title
;
 Synergy of redox-activity and hemilability in thioamidato cobalt(III)
 complexes for the chemoselective reduction of nitroarenes to anilines:
 catalytic and mechanistic investigation.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1469
_journal_page_last               1481
_journal_paper_doi               10.1039/d3dt02923a
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C30 H24 Co1 N6 P1 S3'
_chemical_formula_sum            'C30 H24 Co N6 P S3'
_chemical_formula_weight         654.67
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_audit_update_record
;
2020-04-09 deposited with the CCDC.	2023-12-13 downloaded from the CCDC.
;
_cell_angle_alpha                97.77(4)
_cell_angle_beta                 94.79(4)
_cell_angle_gamma                113.14(4)
_cell_formula_units_Z            2
_cell_length_a                   10.1905(15)
_cell_length_b                   11.2851(16)
_cell_length_c                   14.0183(19)
_cell_measurement_reflns_used    221
_cell_measurement_temperature    295
_cell_measurement_theta_max      20
_cell_measurement_theta_min      10
_cell_volume                     1452.2(6)
_computing_cell_refinement       'Apex2 (Bruker AXS, 2006)'
_computing_data_collection       'Apex2 (Bruker AXS, 2006)'
_computing_data_reduction        'USER DEFINED DATA REDUCTION'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      295
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measurement_device       Area
_diffrn_measurement_device_type  'Bruker Kappa Apex2'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.052
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            37275
_diffrn_reflns_theta_full        25.222
_diffrn_reflns_theta_max         26.002
_diffrn_reflns_theta_min         1.996
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.894
_exptl_absorpt_correction_T_max  0.94
_exptl_absorpt_correction_T_min  0.87
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
; 
 Analytical Absorption (De Meulenaer & Tompa, 1965) 
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             672
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.070
_refine_diff_density_max         0.40
_refine_diff_density_min         -0.36
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         3985
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0404
_refine_ls_shift/su_max          0.0006077
_refine_ls_shift/su_mean         0.0000262
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method= Quasi-Unit weights 
 W = 1.0 or 1./4Fsq 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0876
_refine_ls_wR_factor_gt          0.0721
_refine_ls_wR_factor_ref         0.0721
_reflns_limit_h_max              12
_reflns_limit_h_min              -12
_reflns_limit_k_max              13
_reflns_limit_k_min              -13
_reflns_limit_l_max              16
_reflns_limit_l_min              0
_reflns_number_gt                3985
_reflns_number_total             5409
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   2.89
_oxford_diffrn_Wilson_scale      32.51
_oxford_refine_ls_r_factor_ref   0.0404
_oxford_refine_ls_scale          0.21103(9)
_oxford_reflns_number_all        5391
_oxford_reflns_threshold_expression_ref I>2.0\s(I)
_cod_data_source_file            d3dt02923a2.cif
_cod_data_source_block           I_CCDC4
_cod_depositor_comments
'Adding full bibliography for 7714799--7714804.cif.'
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C30 H24 Co1 N6 P1 S3'
_cod_database_code               7714803
loop_
_symmetry_equiv_pos_as_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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Co1 Co 0.18587(5) 0.36276(5) 0.72078(3) 0.0355 1.0000 Uani . . . . . .
P1 P 0.32483(9) 0.57798(9) 0.78037(6) 0.0352 1.0000 Uani . . . . . .
S1 S -0.04098(10) 0.36273(9) 0.71635(8) 0.0471 1.0000 Uani . . . . . .
S2 S 0.21677(10) 0.39286(10) 0.56132(7) 0.0465 1.0000 Uani . . . . . .
S3 S 0.20750(11) 0.33196(9) 0.87828(7) 0.0456 1.0000 Uani . . . . . .
N1 N 0.0447(3) 0.1834(3) 0.6723(2) 0.0381 1.0000 Uani . . . . . .
N2 N -0.2134(3) 0.1020(3) 0.6546(2) 0.0526 1.0000 Uani . . . . . .
N3 N 0.3481(3) 0.3222(3) 0.6872(2) 0.0377 1.0000 Uani . . . . . .
N4 N 0.4355(3) 0.3119(3) 0.5345(2) 0.0568 1.0000 Uani . . . . . .
N5 N 0.2366(4) 0.1066(4) 0.8792(4) 0.0851 1.0000 Uani . . . . . .
N6 N -0.0041(4) 0.0940(4) 0.8690(3) 0.0689 1.0000 Uani . . . . . .
C1 C -0.0827(4) 0.1978(3) 0.6767(2) 0.0406 1.0000 Uani . . . . . .
C2 C 0.0366(4) 0.0642(4) 0.6412(3) 0.0518 1.0000 Uani . . . . . .
C3 C -0.0960(5) -0.0430(4) 0.6154(3) 0.0576 1.0000 Uani . . . . . .
C4 C -0.2168(4) -0.0175(4) 0.6247(3) 0.0578 1.0000 Uani . . . . . .
C5 C 0.3464(4) 0.3353(3) 0.5923(3) 0.0399 1.0000 Uani . . . . . .
C6 C 0.4455(4) 0.2863(3) 0.7285(3) 0.0450 1.0000 Uani . . . . . .
C7 C 0.5465(4) 0.2658(4) 0.6743(4) 0.0564 1.0000 Uani . . . . . .
C8 C 0.5345(4) 0.2794(4) 0.5783(4) 0.0640 1.0000 Uani . . . . . .
C9 C 0.1433(4) 0.1609(4) 0.8746(3) 0.0491 1.0000 Uani . . . . . .
C10 C 0.1852(6) -0.0216(5) 0.8826(5) 0.1062 1.0000 Uani . . . . . .
C11 C 0.0460(7) -0.0945(5) 0.8802(4) 0.0967 1.0000 Uani . . . . . .
C12 C -0.0495(6) -0.0364(5) 0.8704(4) 0.0860 1.0000 Uani . . . . . .
C13 C 0.5136(3) 0.6009(3) 0.7866(2) 0.0347 1.0000 Uani . . . . . .
C14 C 0.5825(4) 0.5755(4) 0.8670(3) 0.0447 1.0000 Uani . . . . . .
C15 C 0.7166(4) 0.5717(4) 0.8629(3) 0.0537 1.0000 Uani . . . . . .
C16 C 0.7823(4) 0.5926(4) 0.7812(3) 0.0579 1.0000 Uani . . . . . .
C17 C 0.7154(4) 0.6182(4) 0.7019(3) 0.0493 1.0000 Uani . . . . . .
C18 C 0.5828(4) 0.6232(3) 0.7042(2) 0.0412 1.0000 Uani . . . . . .
C19 C 0.3046(4) 0.6505(3) 0.9009(3) 0.0396 1.0000 Uani . . . . . .
C20 C 0.4208(4) 0.7490(4) 0.9628(3) 0.0529 1.0000 Uani . . . . . .
C21 C 0.3982(5) 0.8123(4) 1.0506(3) 0.0602 1.0000 Uani . . . . . .
C22 C 0.2602(5) 0.7772(4) 1.0732(3) 0.0553 1.0000 Uani . . . . . .
C23 C 0.1447(4) 0.6790(4) 1.0121(3) 0.0527 1.0000 Uani . . . . . .
C24 C 0.1666(4) 0.6156(4) 0.9276(3) 0.0448 1.0000 Uani . . . . . .
C25 C 0.3092(4) 0.6985(3) 0.7091(3) 0.0404 1.0000 Uani . . . . . .
C26 C 0.1861(4) 0.6731(4) 0.6454(3) 0.0501 1.0000 Uani . . . . . .
C27 C 0.1770(5) 0.7682(5) 0.5937(3) 0.0638 1.0000 Uani . . . . . .
C28 C 0.2907(5) 0.8897(5) 0.6070(3) 0.0642 1.0000 Uani . . . . . .
C29 C 0.4126(5) 0.9184(4) 0.6720(3) 0.0604 1.0000 Uani . . . . . .
C30 C 0.4214(4) 0.8229(4) 0.7230(3) 0.0521 1.0000 Uani . . . . . .
H261 H 0.1080 0.5914 0.6366 0.0591 1.0000 Uiso R . . . . .
H271 H 0.0936 0.7499 0.5506 0.0770 1.0000 Uiso R . . . . .
H281 H 0.2854 0.9523 0.5716 0.0721 1.0000 Uiso R . . . . .
H241 H 0.0877 0.5482 0.8878 0.0511 1.0000 Uiso R . . . . .
H231 H 0.0514 0.6553 1.0282 0.0619 1.0000 Uiso R . . . . .
H221 H 0.2456 0.8208 1.1296 0.0600 1.0000 Uiso R . . . . .
H211 H 0.4764 0.8774 1.0925 0.0689 1.0000 Uiso R . . . . .
H201 H 0.5137 0.7741 0.9470 0.0588 1.0000 Uiso R . . . . .
H101 H 0.2506 -0.0605 0.8862 0.1208 1.0000 Uiso R . . . . .
H121 H -0.1489 -0.0878 0.8636 0.1000 1.0000 Uiso R . . . . .
H41 H -0.3067 -0.0879 0.6085 0.0669 1.0000 Uiso R . . . . .
H71 H 0.6178 0.2431 0.7022 0.0659 1.0000 Uiso R . . . . .
H301 H 0.5039 0.8416 0.7673 0.0559 1.0000 Uiso R . . . . .
H61 H 0.4461 0.2754 0.7931 0.0517 1.0000 Uiso R . . . . .
H81 H 0.5999 0.2644 0.5420 0.0710 1.0000 Uiso R . . . . .
H141 H 0.5385 0.5606 0.9222 0.0501 1.0000 Uiso R . . . . .
H151 H 0.7620 0.5552 0.9171 0.0581 1.0000 Uiso R . . . . .
H161 H 0.8723 0.5897 0.7799 0.0649 1.0000 Uiso R . . . . .
H171 H 0.7600 0.6312 0.6462 0.0570 1.0000 Uiso R . . . . .
H181 H 0.5389 0.6401 0.6504 0.0518 1.0000 Uiso R . . . . .
H21 H 0.1217 0.0525 0.6366 0.0588 1.0000 Uiso R . . . . .
H31 H -0.1036 -0.1269 0.5932 0.0719 1.0000 Uiso R . . . . .
H291 H 0.4894 1.0015 0.6821 0.0639 1.0000 Uiso R . . . . .
H111 H 0.0137 -0.1825 0.8860 0.1070 1.0000 Uiso R . . . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089 0.2508
'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.1023 0.0942 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645 1.1149
'International Tables Vol C 4.2.6.8 and 6.1.1.4'
S 0.1246 0.1234 6.9053 1.4679 5.2034 22.2151 1.4379 0.2536 1.5863 56.1720 0.8669
'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Co 0.3494 0.9721 12.2841 4.2791 7.3409 0.2784 4.0034 13.5359 2.3488 71.1692
1.0118 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P1 . Co1 . S1 . 100.23(5) yes
P1 . Co1 . S2 . 91.60(5) yes
S1 . Co1 . S2 . 97.54(6) yes
P1 . Co1 . S3 . 86.32(5) yes
S1 . Co1 . S3 . 95.85(6) yes
S2 . Co1 . S3 . 166.60(4) yes
P1 . Co1 . N1 . 172.42(9) yes
S1 . Co1 . N1 . 72.22(10) yes
S2 . Co1 . N1 . 90.11(10) yes
S3 . Co1 . N1 . 93.68(11) yes
P1 . Co1 . N3 . 94.40(10) yes
S1 . Co1 . N3 . 161.97(9) yes
S2 . Co1 . N3 . 71.40(10) yes
S3 . Co1 . N3 . 95.54(10) yes
N1 . Co1 . N3 . 93.15(12) yes
Co1 . P1 . C13 . 107.41(11) yes
Co1 . P1 . C19 . 118.87(12) yes
C13 . P1 . C19 . 106.78(16) yes
Co1 . P1 . C25 . 117.70(13) yes
C13 . P1 . C25 . 105.05(16) yes
C19 . P1 . C25 . 99.80(16) yes
Co1 . S1 . C1 . 78.49(13) yes
Co1 . S2 . C5 . 77.84(13) yes
Co1 . S3 . C9 . 107.04(14) yes
Co1 . N1 . C1 . 101.2(2) yes
Co1 . N1 . C2 . 141.1(3) yes
C1 . N1 . C2 . 117.6(3) yes
C1 . N2 . C4 . 114.9(3) yes
Co1 . N3 . C5 . 101.7(2) yes
Co1 . N3 . C6 . 139.0(3) yes
C5 . N3 . C6 . 119.2(3) yes
C5 . N4 . C8 . 114.9(4) yes
C9 . N5 . C10 . 117.7(4) yes
C9 . N6 . C12 . 114.7(4) yes
S1 . C1 . N1 . 108.0(2) yes
S1 . C1 . N2 . 126.4(3) yes
N1 . C1 . N2 . 125.6(3) yes
N1 . C2 . C3 . 121.2(4) yes
N1 . C2 . H21 . 119.0 no
C3 . C2 . H21 . 119.8 no
C2 . C3 . C4 . 116.2(4) yes
C2 . C3 . H31 . 122.3 no
C4 . C3 . H31 . 121.6 no
C3 . C4 . N2 . 124.5(4) yes
C3 . C4 . H41 . 117.6 no
N2 . C4 . H41 . 117.8 no
S2 . C5 . N3 . 108.7(2) yes
S2 . C5 . N4 . 126.6(3) yes
N3 . C5 . N4 . 124.6(3) yes
N3 . C6 . C7 . 119.6(4) yes
N3 . C6 . H61 . 119.7 no
C7 . C6 . H61 . 120.7 no
C6 . C7 . C8 . 116.8(4) yes
C6 . C7 . H71 . 121.3 no
C8 . C7 . H71 . 121.9 no
C7 . C8 . N4 . 124.7(4) yes
C7 . C8 . H81 . 117.1 no
N4 . C8 . H81 . 118.2 no
S3 . C9 . N6 . 116.1(3) yes
S3 . C9 . N5 . 119.2(3) yes
N6 . C9 . N5 . 124.6(4) yes
N5 . C10 . C11 . 122.6(5) yes
N5 . C10 . H101 . 118.2 no
C11 . C10 . H101 . 119.2 no
C10 . C11 . C12 . 118.3(5) yes
C10 . C11 . H111 . 120.8 no
C12 . C11 . H111 . 120.9 no
C11 . C12 . N6 . 122.0(5) yes
C11 . C12 . H121 . 119.5 no
N6 . C12 . H121 . 118.5 no
P1 . C13 . C14 . 120.5(3) yes
P1 . C13 . C18 . 119.8(3) yes
C14 . C13 . C18 . 118.9(3) yes
C13 . C14 . C15 . 119.4(3) yes
C13 . C14 . H141 . 120.2 no
C15 . C14 . H141 . 120.4 no
C14 . C15 . C16 . 120.9(4) yes
C14 . C15 . H151 . 118.7 no
C16 . C15 . H151 . 120.3 no
C15 . C16 . C17 . 120.1(4) yes
C15 . C16 . H161 . 119.6 no
C17 . C16 . H161 . 120.3 no
C16 . C17 . C18 . 120.2(4) yes
C16 . C17 . H171 . 119.7 no
C18 . C17 . H171 . 120.1 no
C13 . C18 . C17 . 120.5(3) yes
C13 . C18 . H181 . 120.2 no
C17 . C18 . H181 . 119.3 no
P1 . C19 . C20 . 121.7(3) yes
P1 . C19 . C24 . 119.6(3) yes
C20 . C19 . C24 . 118.4(3) yes
C19 . C20 . C21 . 120.0(4) yes
C19 . C20 . H201 . 120.3 no
C21 . C20 . H201 . 119.7 no
C20 . C21 . C22 . 119.8(4) yes
C20 . C21 . H211 . 119.9 no
C22 . C21 . H211 . 120.3 no
C21 . C22 . C23 . 120.3(4) yes
C21 . C22 . H221 . 119.6 no
C23 . C22 . H221 . 120.1 no
C22 . C23 . C24 . 120.0(4) yes
C22 . C23 . H231 . 119.8 no
C24 . C23 . H231 . 120.2 no
C19 . C24 . C23 . 121.4(4) yes
C19 . C24 . H241 . 119.5 no
C23 . C24 . H241 . 119.0 no
P1 . C25 . C26 . 122.4(3) yes
P1 . C25 . C30 . 119.4(3) yes
C26 . C25 . C30 . 118.1(3) yes
C25 . C26 . C27 . 120.8(4) yes
C25 . C26 . H261 . 119.7 no
C27 . C26 . H261 . 119.5 no
C26 . C27 . C28 . 120.1(4) yes
C26 . C27 . H271 . 120.1 no
C28 . C27 . H271 . 119.7 no
C27 . C28 . C29 . 120.0(4) yes
C27 . C28 . H281 . 120.1 no
C29 . C28 . H281 . 119.8 no
C28 . C29 . C30 . 119.6(4) yes
C28 . C29 . H291 . 120.3 no
C30 . C29 . H291 . 120.1 no
C29 . C30 . C25 . 121.3(4) yes
C29 . C30 . H301 . 120.1 no
C25 . C30 . H301 . 118.6 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Co1 . P1 . 2.2699(16) yes
Co1 . S1 . 2.3073(11) yes
Co1 . S2 . 2.3345(12) yes
Co1 . S3 . 2.2870(11) yes
Co1 . N1 . 1.950(3) yes
Co1 . N3 . 1.957(3) yes
P1 . C13 . 1.830(3) yes
P1 . C19 . 1.840(4) yes
P1 . C25 . 1.840(4) yes
S1 . C1 . 1.736(4) yes
S2 . C5 . 1.735(4) yes
S3 . C9 . 1.769(4) yes
N1 . C1 . 1.375(4) yes
N1 . C2 . 1.325(5) yes
N2 . C1 . 1.322(4) yes
N2 . C4 . 1.342(5) yes
N3 . C5 . 1.358(4) yes
N3 . C6 . 1.330(4) yes
N4 . C5 . 1.344(4) yes
N4 . C8 . 1.333(5) yes
N5 . C9 . 1.320(5) yes
N5 . C10 . 1.341(6) yes
N6 . C9 . 1.380(5) yes
N6 . C12 . 1.361(6) yes
C2 . C3 . 1.392(5) yes
C2 . H21 . 0.933 no
C3 . C4 . 1.383(6) yes
C3 . H31 . 0.925 no
C4 . H41 . 0.931 no
C6 . C7 . 1.400(5) yes
C6 . H61 . 0.931 no
C7 . C8 . 1.377(6) yes
C7 . H71 . 0.933 no
C8 . H81 . 0.924 no
C10 . C11 . 1.325(7) yes
C10 . H101 . 0.932 no
C11 . C12 . 1.378(7) yes
C11 . H111 . 0.933 no
C12 . H121 . 0.937 no
C13 . C14 . 1.399(5) yes
C13 . C18 . 1.404(4) yes
C14 . C15 . 1.389(5) yes
C14 . H141 . 0.929 no
C15 . C16 . 1.376(6) yes
C15 . H151 . 0.934 no
C16 . C17 . 1.376(6) yes
C16 . H161 . 0.932 no
C17 . C18 . 1.378(5) yes
C17 . H171 . 0.936 no
C18 . H181 . 0.924 no
C19 . C20 . 1.387(5) yes
C19 . C24 . 1.403(5) yes
C20 . C21 . 1.419(5) yes
C20 . H201 . 0.931 no
C21 . C22 . 1.380(6) yes
C21 . H211 . 0.930 no
C22 . C23 . 1.377(6) yes
C22 . H221 . 0.929 no
C23 . C24 . 1.380(5) yes
C23 . H231 . 0.937 no
C24 . H241 . 0.931 no
C25 . C26 . 1.383(5) yes
C25 . C30 . 1.394(5) yes
C26 . C27 . 1.402(5) yes
C26 . H261 . 0.935 no
C27 . C28 . 1.379(6) yes
C27 . H271 . 0.934 no
C28 . C29 . 1.377(6) yes
C28 . H281 . 0.931 no
C29 . C30 . 1.399(5) yes
C29 . H291 . 0.938 no
C30 . H301 . 0.935 no
