#------------------------------------------------------------------------------
#$Date: 2021-12-16 03:20:04 +0100 (jue 16 de dic de 2021) $
#$Revision: 271465 $
#$URL: svn://www.crystallography.net/cod/cif/7/24/40/7244079.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_7244079
loop_
_publ_author_name
'Han, Bo'
'Zhang, Miaomiao'
'Jiao, Hongmei'
'Ma, Haojie'
'Wang, Jijiang'
'Zhang, Yuqi'
_publ_section_title
;
 Ligand-enabled and magnesium-activated hydrogenation with earth-abundant
 cobalt catalysts
;
_journal_issue                   63
_journal_name_full               'RSC Advances'
_journal_page_first              39934
_journal_page_last               39939
_journal_paper_doi               10.1039/D1RA07266H
_journal_volume                  11
_journal_year                    2021
_chemical_formula_sum            'C28 H30'
_chemical_formula_weight         366.52
_chemical_name_systematic
9,10-di-p-tolyl-1,2,3,4,5,6,7,8-octahydroanthracene
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/ccdc.csd.cc1zrswd
_audit_creation_method           SHELXL-97
_audit_update_record
;
2018-04-27 deposited with the CCDC.	2021-12-09 downloaded from the CCDC.
;
_cell_angle_alpha                112.635(6)
_cell_angle_beta                 97.722(6)
_cell_angle_gamma                106.198(4)
_cell_formula_units_Z            2
_cell_length_a                   9.427(2)
_cell_length_b                   11.348(3)
_cell_length_c                   11.761(5)
_cell_measurement_reflns_used    1096
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.98
_cell_measurement_theta_min      2.34
_cell_volume                     1072.9(6)
_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-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0228
_diffrn_reflns_av_sigmaI/netI    0.0515
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5417
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    0.064
_exptl_absorpt_correction_T_max  0.9881
_exptl_absorpt_correction_T_min  0.9771
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.135
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             396
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: DCM'
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.295
_refine_diff_density_min         -0.275
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3772
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.1053
_refine_ls_R_factor_gt           0.0716
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1252P)²+0.3644P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2051
_refine_ls_wR_factor_ref         0.2378
_reflns_number_gt                2460
_reflns_number_total             3772
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d1ra07266h2.cif
_cod_data_source_block           xb1341
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' 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_cell_volume        1072.9(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7244079
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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.7286(4) 0.2345(3) 0.7206(3) 0.0647(9) Uani 1 1 d . . .
H1A H 0.7177 0.3172 0.7209 0.078 Uiso 1 1 calc R . .
H1B H 0.7063 0.2300 0.7973 0.078 Uiso 1 1 calc R . .
C2 C 0.8874(5) 0.2461(6) 0.7272(5) 0.134(2) Uani 1 1 d . . .
H2A H 0.9411 0.3362 0.7345 0.161 Uiso 1 1 calc R . .
H2B H 0.9287 0.2469 0.8077 0.161 Uiso 1 1 calc R . .
C3 C 0.9299(5) 0.1608(6) 0.6407(5) 0.170(4) Uani 1 1 d . . .
H3A H 0.9893 0.1264 0.6852 0.204 Uiso 1 1 calc R . .
H3B H 1.0009 0.2152 0.6116 0.204 Uiso 1 1 calc R . .
C4 C 0.8247(3) 0.0428(3) 0.5267(3) 0.0569(8) Uani 1 1 d . . .
H4A H 0.8413 -0.0382 0.5256 0.068 Uiso 1 1 calc R . .
H4B H 0.8497 0.0521 0.4525 0.068 Uiso 1 1 calc R . .
C5 C 0.6563(3) 0.0200(3) 0.5134(3) 0.0428(7) Uani 1 1 d . . .
C6 C 0.6111(3) 0.1135(3) 0.6062(3) 0.0428(7) Uani 1 1 d . . .
C7 C 0.4550(3) 0.0928(3) 0.5914(3) 0.0409(7) Uani 1 1 d . . .
C8 C 0.4067(3) 0.1946(3) 0.6873(2) 0.0403(7) Uani 1 1 d . . .
C9 C 0.4027(4) 0.3105(3) 0.6763(3) 0.0534(8) Uani 1 1 d . . .
H9 H 0.4300 0.3248 0.6082 0.064 Uiso 1 1 calc R . .
C10 C 0.3591(4) 0.4056(3) 0.7642(3) 0.0545(8) Uani 1 1 d . . .
H10 H 0.3568 0.4823 0.7536 0.065 Uiso 1 1 calc R . .
C11 C 0.3186(3) 0.3897(3) 0.8675(3) 0.0457(7) Uani 1 1 d . . .
C12 C 0.3226(4) 0.2746(3) 0.8787(3) 0.0543(8) Uani 1 1 d . . .
H12 H 0.2950 0.2607 0.9468 0.065 Uiso 1 1 calc R . .
C13 C 0.3664(4) 0.1786(3) 0.7916(3) 0.0514(8) Uani 1 1 d . . .
H13 H 0.3691 0.1024 0.8028 0.062 Uiso 1 1 calc R . .
C14 C 0.2740(4) 0.4960(3) 0.9639(3) 0.0643(9) Uani 1 1 d . . .
H14A H 0.2783 0.5683 0.9396 0.096 Uiso 1 1 calc R . .
H14B H 0.3437 0.5329 1.0470 0.096 Uiso 1 1 calc R . .
H14C H 0.1715 0.4544 0.9665 0.096 Uiso 1 1 calc R . .
C15 C 0.6357(3) 0.4710(3) 0.4909(3) 0.0431(7) Uani 1 1 d . . .
C16 C 0.7812(4) 0.4437(3) 0.4813(3) 0.0628(9) Uani 1 1 d . . .
H16A H 0.8549 0.5212 0.4789 0.075 Uiso 1 1 calc R . .
H16B H 0.8228 0.4381 0.5583 0.075 Uiso 1 1 calc R . .
C17 C 0.7662(6) 0.3188(6) 0.3700(5) 0.148(3) Uani 1 1 d . . .
H17A H 0.8254 0.3481 0.3180 0.177 Uiso 1 1 calc R . .
H17B H 0.8180 0.2706 0.4023 0.177 Uiso 1 1 calc R . .
C18 C 0.6336(5) 0.2276(5) 0.2918(5) 0.132(2) Uani 1 1 d . . .
H18A H 0.6175 0.1480 0.3082 0.158 Uiso 1 1 calc R . .
H18B H 0.6462 0.2003 0.2060 0.158 Uiso 1 1 calc R . .
C19 C 0.4895(4) 0.2529(3) 0.2872(3) 0.0597(9) Uani 1 1 d . . .
H19A H 0.4112 0.1754 0.2857 0.072 Uiso 1 1 calc R . .
H19B H 0.4578 0.2580 0.2078 0.072 Uiso 1 1 calc R . .
C20 C 0.4968(3) 0.3820(3) 0.3973(3) 0.0436(7) Uani 1 1 d . . .
C21 C 0.3625(3) 0.4116(3) 0.4070(3) 0.0421(7) Uani 1 1 d . . .
C22 C 0.2152(3) 0.3175(3) 0.3052(3) 0.0442(7) Uani 1 1 d . . .
C23 C 0.1209(4) 0.2014(3) 0.3074(3) 0.0565(8) Uani 1 1 d . . .
H23 H 0.1486 0.1808 0.3744 0.068 Uiso 1 1 calc R . .
C24 C -0.0144(4) 0.1151(3) 0.2117(3) 0.0634(9) Uani 1 1 d . . .
H24 H -0.0748 0.0371 0.2155 0.076 Uiso 1 1 calc R . .
C25 C -0.0614(4) 0.1414(3) 0.1115(3) 0.0593(9) Uani 1 1 d . . .
C26 C 0.0323(4) 0.2582(4) 0.1101(3) 0.0720(10) Uani 1 1 d . . .
H26 H 0.0037 0.2794 0.0437 0.086 Uiso 1 1 calc R . .
C27 C 0.1678(4) 0.3443(3) 0.2048(3) 0.0641(9) Uani 1 1 d . . .
H27 H 0.2281 0.4221 0.2006 0.077 Uiso 1 1 calc R . .
C28 C -0.2068(4) 0.0465(4) 0.0067(4) 0.0877(13) Uani 1 1 d . . .
H28A H -0.2204 0.0821 -0.0543 0.132 Uiso 1 1 calc R . .
H28B H -0.2925 0.0392 0.0428 0.132 Uiso 1 1 calc R . .
H28C H -0.2006 -0.0423 -0.0352 0.132 Uiso 1 1 calc R . .
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'
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
C2 C1 C6 115.4(3) . . ?
C2 C1 H1A 108.4 . . ?
C6 C1 H1A 108.4 . . ?
C2 C1 H1B 108.4 . . ?
C6 C1 H1B 108.4 . . ?
H1A C1 H1B 107.5 . . ?
C3 C2 C1 124.1(4) . . ?
C3 C2 H2A 106.3 . . ?
C1 C2 H2A 106.3 . . ?
C3 C2 H2B 106.3 . . ?
C1 C2 H2B 106.3 . . ?
H2A C2 H2B 106.4 . . ?
C2 C3 C4 124.1(4) . . ?
C2 C3 H3A 106.3 . . ?
C4 C3 H3A 106.3 . . ?
C2 C3 H3B 106.3 . . ?
C4 C3 H3B 106.3 . . ?
H3A C3 H3B 106.4 . . ?
C3 C4 C5 115.6(3) . . ?
C3 C4 H4A 108.4 . . ?
C5 C4 H4A 108.4 . . ?
C3 C4 H4B 108.4 . . ?
C5 C4 H4B 108.4 . . ?
H4A C4 H4B 107.4 . . ?
C7 C5 C6 119.7(2) 2_656 . ?
C7 C5 C4 120.2(2) 2_656 . ?
C6 C5 C4 120.1(2) . . ?
C7 C6 C5 119.5(2) . . ?
C7 C6 C1 119.8(2) . . ?
C5 C6 C1 120.7(3) . . ?
C5 C7 C6 120.8(2) 2_656 . ?
C5 C7 C8 119.5(2) 2_656 . ?
C6 C7 C8 119.7(2) . . ?
C9 C8 C13 117.1(3) . . ?
C9 C8 C7 120.7(2) . . ?
C13 C8 C7 122.2(2) . . ?
C8 C9 C10 121.4(3) . . ?
C8 C9 H9 119.3 . . ?
C10 C9 H9 119.3 . . ?
C9 C10 C11 121.6(3) . . ?
C9 C10 H10 119.2 . . ?
C11 C10 H10 119.2 . . ?
C12 C11 C10 117.1(3) . . ?
C12 C11 C14 122.0(3) . . ?
C10 C11 C14 120.9(3) . . ?
C11 C12 C13 121.9(3) . . ?
C11 C12 H12 119.0 . . ?
C13 C12 H12 119.0 . . ?
C12 C13 C8 120.8(3) . . ?
C12 C13 H13 119.6 . . ?
C8 C13 H13 119.6 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C20 C15 C21 119.0(3) . 2_666 ?
C20 C15 C16 120.9(3) . . ?
C21 C15 C16 120.1(3) 2_666 . ?
C17 C16 C15 115.5(3) . . ?
C17 C16 H16A 108.4 . . ?
C15 C16 H16A 108.4 . . ?
C17 C16 H16B 108.4 . . ?
C15 C16 H16B 108.4 . . ?
H16A C16 H16B 107.5 . . ?
C18 C17 C16 123.1(4) . . ?
C18 C17 H17A 106.5 . . ?
C16 C17 H17A 106.5 . . ?
C18 C17 H17B 106.5 . . ?
C16 C17 H17B 106.5 . . ?
H17A C17 H17B 106.5 . . ?
C17 C18 C19 123.6(4) . . ?
C17 C18 H18A 106.4 . . ?
C19 C18 H18A 106.4 . . ?
C17 C18 H18B 106.4 . . ?
C19 C18 H18B 106.4 . . ?
H18A C18 H18B 106.5 . . ?
C18 C19 C20 114.9(3) . . ?
C18 C19 H19A 108.5 . . ?
C20 C19 H19A 108.5 . . ?
C18 C19 H19B 108.5 . . ?
C20 C19 H19B 108.5 . . ?
H19A C19 H19B 107.5 . . ?
C15 C20 C21 119.8(2) . . ?
C15 C20 C19 120.5(3) . . ?
C21 C20 C19 119.6(3) . . ?
C15 C21 C20 121.2(2) 2_666 . ?
C15 C21 C22 119.3(2) 2_666 . ?
C20 C21 C22 119.5(2) . . ?
C27 C22 C23 117.0(3) . . ?
C27 C22 C21 120.9(3) . . ?
C23 C22 C21 122.2(3) . . ?
C22 C23 C24 121.3(3) . . ?
C22 C23 H23 119.4 . . ?
C24 C23 H23 119.4 . . ?
C25 C24 C23 121.8(3) . . ?
C25 C24 H24 119.1 . . ?
C23 C24 H24 119.1 . . ?
C24 C25 C26 116.9(3) . . ?
C24 C25 C28 121.7(3) . . ?
C26 C25 C28 121.4(3) . . ?
C25 C26 C27 121.7(3) . . ?
C25 C26 H26 119.2 . . ?
C27 C26 H26 119.2 . . ?
C22 C27 C26 121.4(3) . . ?
C22 C27 H27 119.3 . . ?
C26 C27 H27 119.3 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 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
C1 C2 1.455(5) . ?
C1 C6 1.500(4) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C3 1.304(6) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.447(5) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C5 1.511(4) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C7 1.396(4) 2_656 ?
C5 C6 1.409(4) . ?
C6 C7 1.399(4) . ?
C7 C5 1.396(4) 2_656 ?
C7 C8 1.498(4) . ?
C8 C9 1.380(4) . ?
C8 C13 1.393(4) . ?
C9 C10 1.381(4) . ?
C9 H9 0.9300 . ?
C10 C11 1.381(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.373(4) . ?
C11 C14 1.509(4) . ?
C12 C13 1.383(4) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C20 1.402(4) . ?
C15 C21 1.404(4) 2_666 ?
C15 C16 1.497(4) . ?
C16 C17 1.467(5) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.310(6) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C19 1.463(5) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.512(4) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.405(4) . ?
C21 C15 1.404(4) 2_666 ?
C21 C22 1.498(4) . ?
C22 C27 1.378(4) . ?
C22 C23 1.381(4) . ?
C23 C24 1.386(4) . ?
C23 H23 0.9300 . ?
C24 C25 1.371(5) . ?
C24 H24 0.9300 . ?
C25 C26 1.380(5) . ?
C25 C28 1.503(5) . ?
C26 C27 1.382(4) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 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
C6 C1 C2 C3 1.2(9) . . . . ?
C1 C2 C3 C4 -0.3(12) . . . . ?
C2 C3 C4 C5 -1.4(10) . . . . ?
C3 C4 C5 C7 -178.4(4) . . . 2_656 ?
C3 C4 C5 C6 2.1(5) . . . . ?
C7 C5 C6 C7 -0.8(4) 2_656 . . . ?
C4 C5 C6 C7 178.7(3) . . . . ?
C7 C5 C6 C1 179.2(3) 2_656 . . . ?
C4 C5 C6 C1 -1.3(4) . . . . ?
C2 C1 C6 C7 179.7(4) . . . . ?
C2 C1 C6 C5 -0.3(5) . . . . ?
C5 C6 C7 C5 0.8(4) . . . 2_656 ?
C1 C6 C7 C5 -179.2(3) . . . 2_656 ?
C5 C6 C7 C8 -177.7(2) . . . . ?
C1 C6 C7 C8 2.3(4) . . . . ?
C5 C7 C8 C9 -93.7(3) 2_656 . . . ?
C6 C7 C8 C9 84.8(3) . . . . ?
C5 C7 C8 C13 87.2(3) 2_656 . . . ?
C6 C7 C8 C13 -94.2(3) . . . . ?
C13 C8 C9 C10 -0.7(4) . . . . ?
C7 C8 C9 C10 -179.7(3) . . . . ?
C8 C9 C10 C11 0.5(5) . . . . ?
C9 C10 C11 C12 -0.5(5) . . . . ?
C9 C10 C11 C14 178.9(3) . . . . ?
C10 C11 C12 C13 0.6(5) . . . . ?
C14 C11 C12 C13 -178.7(3) . . . . ?
C11 C12 C13 C8 -0.9(5) . . . . ?
C9 C8 C13 C12 0.8(4) . . . . ?
C7 C8 C13 C12 179.9(3) . . . . ?
C20 C15 C16 C17 -0.8(5) . . . . ?
C21 C15 C16 C17 -179.4(4) 2_666 . . . ?
C15 C16 C17 C18 -8.0(9) . . . . ?
C16 C17 C18 C19 14.9(11) . . . . ?
C17 C18 C19 C20 -12.0(9) . . . . ?
C21 C15 C20 C21 0.0(4) 2_666 . . . ?
C16 C15 C20 C21 -178.6(3) . . . . ?
C21 C15 C20 C19 -178.8(3) 2_666 . . . ?
C16 C15 C20 C19 2.6(4) . . . . ?
C18 C19 C20 C15 3.1(5) . . . . ?
C18 C19 C20 C21 -175.7(4) . . . . ?
C15 C20 C21 C15 0.0(4) . . . 2_666 ?
C19 C20 C21 C15 178.8(3) . . . 2_666 ?
C15 C20 C21 C22 178.8(2) . . . . ?
C19 C20 C21 C22 -2.4(4) . . . . ?
C15 C21 C22 C27 83.3(4) 2_666 . . . ?
C20 C21 C22 C27 -95.5(3) . . . . ?
C15 C21 C22 C23 -96.4(3) 2_666 . . . ?
C20 C21 C22 C23 84.8(4) . . . . ?
C27 C22 C23 C24 0.9(5) . . . . ?
C21 C22 C23 C24 -179.4(3) . . . . ?
C22 C23 C24 C25 -0.7(5) . . . . ?
C23 C24 C25 C26 0.1(5) . . . . ?
C23 C24 C25 C28 179.1(3) . . . . ?
C24 C25 C26 C27 0.3(5) . . . . ?
C28 C25 C26 C27 -178.7(3) . . . . ?
C23 C22 C27 C26 -0.5(5) . . . . ?
C21 C22 C27 C26 179.8(3) . . . . ?
C25 C26 C27 C22 -0.1(6) . . . . ?
