# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_xb1341
_audit_block_doi                 10.5517/ccdc.csd.cc1zrswd
_database_code_depnum_ccdc_archive 'CCDC 1840125'
loop_
_audit_author_name
_audit_author_address
'han bo'
;xi'an jiaotong university
China
;
_audit_update_record             
;
2018-04-27 deposited with the CCDC.	2021-12-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
9,10-di-p-tolyl-1,2,3,4,5,6,7,8-octahydroanthracene
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H30'
_chemical_formula_weight         366.52

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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.427(2)
_cell_length_b                   11.348(3)
_cell_length_c                   11.761(5)
_cell_angle_alpha                112.635(6)
_cell_angle_beta                 97.722(6)
_cell_angle_gamma                106.198(4)
_cell_volume                     1072.9(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1096
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      21.98

_exptl_crystal_description       ?
_exptl_crystal_colour            white
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    1.135
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             396
_exptl_absorpt_coefficient_mu    0.064
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.9771
_exptl_absorpt_correction_T_max  0.9881
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            5417
_diffrn_reflns_av_R_equivalents  0.0228
_diffrn_reflns_av_sigmaI/netI    0.0515
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.09
_diffrn_reflns_theta_max         25.10
_reflns_number_total             3772
_reflns_number_gt                2460
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1252P)²+0.3644P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3772
_refine_ls_number_parameters     253
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1053
_refine_ls_R_factor_gt           0.0716
_refine_ls_wR_factor_ref         0.2378
_refine_ls_wR_factor_gt          0.2051
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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_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_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) . . . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        25.10
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         0.295
_refine_diff_density_min         -0.275
_refine_diff_density_rms         0.048
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: DCM'
