# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_liruip_1007-3_auto
_database_code_depnum_ccdc_archive 'CCDC 2417173'
loop_
_audit_author_name
_audit_author_address
zhengyi
;LANZHOU UNIVERSITY
China
;
_audit_update_record             
;
2025-01-15 deposited with the CCDC.	2025-05-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H22 Cl2 O S2'
_chemical_formula_weight         497.46

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   14.4331(2)
_cell_length_b                   17.0683(3)
_cell_length_c                   20.0983(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4951.19(14)
_cell_formula_units_Z            8
_cell_measurement_temperature    304(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.335
_exptl_crystal_F_000             2064
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    4.066
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      304(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18730
_diffrn_reflns_av_unetI/netI     0.0336
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         4.400
_diffrn_reflns_theta_max         76.032
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             4950
_reflns_number_gt                3965
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0807P)²+2.0735P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4950
_refine_ls_number_parameters     289
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0660
_refine_ls_R_factor_gt           0.0547
_refine_ls_wR_factor_ref         0.1647
_refine_ls_wR_factor_gt          0.1548
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.001
_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_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
Cl1 Cl 1.00719(6) 0.40495(6) 0.41938(6) 0.1096(4) Uani 1 1 d . . . . .
Cl2 Cl 0.76288(7) 0.87654(7) 0.03510(6) 0.1196(4) Uani 1 1 d . . . . .
S1 S 0.44162(6) 0.52907(5) 0.39118(4) 0.0811(3) Uani 1 1 d . . . . .
S2 S 0.53774(6) 0.68486(6) 0.40648(5) 0.0950(3) Uani 1 1 d . . . . .
O1 O 0.61169(12) 0.55264(13) 0.31603(9) 0.0717(5) Uani 1 1 d . . . . .
C1 C 0.64188(17) 0.66790(15) 0.14151(11) 0.0576(6) Uani 1 1 d . . . . .
C2 C 0.6924(2) 0.72323(19) 0.17565(14) 0.0824(9) Uani 1 1 d . . . . .
H2 H 0.701925 0.717158 0.221129 0.099 Uiso 1 1 calc R U . . .
C3 C 0.3666(3) 0.5706(2) 0.45399(18) 0.0963(11) Uani 1 1 d . . . . .
H3A H 0.316079 0.597795 0.432029 0.116 Uiso 1 1 calc R U . . .
H3B H 0.339913 0.528291 0.479881 0.116 Uiso 1 1 calc R U . . .
C4 C 0.54063(16) 0.60035(15) 0.29369(12) 0.0568(6) Uani 1 1 d . . . . .
C5 C 0.4140(3) 0.6269(2) 0.50081(16) 0.0924(10) Uani 1 1 d . . . . .
H5A H 0.371234 0.641127 0.536045 0.111 Uiso 1 1 calc R U . . .
H5B H 0.466621 0.600913 0.521109 0.111 Uiso 1 1 calc R U . . .
C6 C 0.63193(19) 0.67653(19) 0.07386(13) 0.0693(7) Uani 1 1 d . . . . .
H6 H 0.599203 0.638982 0.049943 0.083 Uiso 1 1 calc R U . . .
C7 C 0.8321(2) 0.46024(17) 0.41129(16) 0.0755(8) Uani 1 1 d . . . . .
H7 H 0.831389 0.458228 0.457524 0.091 Uiso 1 1 calc R U . . .
C8 C 0.45769(17) 0.67897(14) 0.20971(12) 0.0571(6) Uani 1 1 d . . . . .
C9 C 0.75653(18) 0.48878(16) 0.37705(14) 0.0648(6) Uani 1 1 d . . . . .
H9 H 0.704727 0.505645 0.400549 0.078 Uiso 1 1 calc R U . . .
C10 C 0.68041(17) 0.53155(14) 0.27254(12) 0.0574(6) Uani 1 1 d . . . . .
C11 C 0.4469(2) 0.7002(2) 0.46677(17) 0.0842(9) Uani 1 1 d . . . . .
H11A H 0.469032 0.736553 0.500301 0.101 Uiso 1 1 calc R U . . .
H11B H 0.394553 0.724568 0.444604 0.101 Uiso 1 1 calc R U . . .
C12 C 0.53225(16) 0.62452(14) 0.23113(11) 0.0541(5) Uani 1 1 d . . . . .
C13 C 0.9094(2) 0.43556(17) 0.30843(19) 0.0808(9) Uani 1 1 d . . . . .
H13 H 0.960815 0.416955 0.285426 0.097 Uiso 1 1 calc R U . . .
C14 C 0.3196(2) 0.7811(2) 0.16671(17) 0.0845(9) Uani 1 1 d . . . . .
H14 H 0.273910 0.815470 0.152093 0.101 Uiso 1 1 calc R U . . .
C15 C 0.75650(17) 0.49274(14) 0.30786(13) 0.0572(5) Uani 1 1 d . . . . .
C16 C 0.47806(16) 0.61900(15) 0.35081(12) 0.0578(6) Uani 1 1 d . . . . .
H16 H 0.422985 0.645721 0.333540 0.069 Uiso 1 1 calc R U . . .
C17 C 0.3243(2) 0.7066(2) 0.14191(17) 0.0851(9) Uani 1 1 d . . . . .
H17 H 0.280457 0.689711 0.111190 0.102 Uiso 1 1 calc R U . . .
C18 C 0.6696(2) 0.7399(2) 0.04073(15) 0.0814(9) Uani 1 1 d . . . . .
H18 H 0.663181 0.744641 -0.005135 0.098 Uiso 1 1 calc R U . . .
C19 C 0.7167(2) 0.79593(19) 0.07633(17) 0.0783(8) Uani 1 1 d . . . . .
C20 C 0.3935(2) 0.65644(17) 0.16218(14) 0.0693(7) Uani 1 1 d . . . . .
H20 H 0.397274 0.606616 0.143635 0.083 Uiso 1 1 calc R U . . .
C21 C 0.7293(2) 0.7876(2) 0.14356(18) 0.0894(9) Uani 1 1 d . . . . .
H21 H 0.762406 0.824955 0.167371 0.107 Uiso 1 1 calc R U . . .
C22 C 0.8339(2) 0.46397(16) 0.27414(16) 0.0727(7) Uani 1 1 d . . . . .
H22 H 0.834507 0.463978 0.227865 0.087 Uiso 1 1 calc R U . . .
C23 C 0.3827(3) 0.80453(18) 0.2131(2) 0.0927(10) Uani 1 1 d . . . . .
H23 H 0.379750 0.855108 0.230142 0.111 Uiso 1 1 calc R U . . .
C24 C 0.6753(2) 0.54903(15) 0.20832(13) 0.0661(6) Uani 1 1 d . . . . .
H24 H 0.721226 0.529543 0.180388 0.079 Uiso 1 1 calc R U . . .
C25 C 0.90838(19) 0.43484(16) 0.37677(18) 0.0749(8) Uani 1 1 d . . . . .
C26 C 0.60053(18) 0.59804(15) 0.17788(12) 0.0602(6) Uani 1 1 d . . . . .
H26 H 0.567025 0.565831 0.145467 0.072 Uiso 1 1 calc R U . . .
C27 C 0.4508(2) 0.75434(17) 0.23491(17) 0.0802(8) Uani 1 1 d . . . . .
H27 H 0.492662 0.771179 0.267017 0.096 Uiso 1 1 calc R U . . .


_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
Cl1 C25 1.740(3) . ?
Cl2 C19 1.739(3) . ?
S1 C3 1.808(3) . ?
S1 C16 1.814(3) . ?
S2 C11 1.805(3) . ?
S2 C16 1.805(3) . ?
O1 C10 1.370(3) . ?
O1 C4 1.385(3) . ?
C1 C6 1.375(3) . ?
C1 C2 1.377(4) . ?
C1 C26 1.521(4) . ?
C2 C21 1.380(4) . ?
C2 H2 0.9300 . ?
C3 C5 1.509(5) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C12 1.329(3) . ?
C4 C16 1.495(3) . ?
C5 C11 1.503(5) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C18 1.382(4) . ?
C6 H6 0.9300 . ?
C7 C25 1.371(4) . ?
C7 C9 1.379(4) . ?
C7 H7 0.9300 . ?
C8 C20 1.385(4) . ?
C8 C27 1.386(4) . ?
C8 C12 1.486(3) . ?
C9 C15 1.392(4) . ?
C9 H9 0.9300 . ?
C10 C24 1.327(4) . ?
C10 C15 1.466(4) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C26 1.524(3) . ?
C13 C25 1.374(5) . ?
C13 C22 1.378(4) . ?
C13 H13 0.9300 . ?
C14 C23 1.363(5) . ?
C14 C17 1.368(5) . ?
C14 H14 0.9300 . ?
C15 C22 1.396(4) . ?
C16 H16 0.9800 . ?
C17 C20 1.378(4) . ?
C17 H17 0.9300 . ?
C18 C19 1.374(5) . ?
C18 H18 0.9300 . ?
C19 C21 1.371(5) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C27 1.375(4) . ?
C23 H23 0.9300 . ?
C24 C26 1.496(4) . ?
C24 H24 0.9300 . ?
C26 H26 0.9800 . ?
C27 H27 0.9300 . ?

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
C3 S1 C16 98.86(14) . . ?
C11 S2 C16 99.20(13) . . ?
C10 O1 C4 118.94(19) . . ?
C6 C1 C2 118.3(3) . . ?
C6 C1 C26 121.2(2) . . ?
C2 C1 C26 120.4(2) . . ?
C1 C2 C21 121.1(3) . . ?
C1 C2 H2 119.4 . . ?
C21 C2 H2 119.4 . . ?
C5 C3 S1 114.4(3) . . ?
C5 C3 H3A 108.7 . . ?
S1 C3 H3A 108.7 . . ?
C5 C3 H3B 108.7 . . ?
S1 C3 H3B 108.7 . . ?
H3A C3 H3B 107.6 . . ?
C12 C4 O1 123.8(2) . . ?
C12 C4 C16 127.3(2) . . ?
O1 C4 C16 108.9(2) . . ?
C11 C5 C3 112.9(3) . . ?
C11 C5 H5A 109.0 . . ?
C3 C5 H5A 109.0 . . ?
C11 C5 H5B 109.0 . . ?
C3 C5 H5B 109.0 . . ?
H5A C5 H5B 107.8 . . ?
C1 C6 C18 121.3(3) . . ?
C1 C6 H6 119.4 . . ?
C18 C6 H6 119.4 . . ?
C25 C7 C9 119.6(3) . . ?
C25 C7 H7 120.2 . . ?
C9 C7 H7 120.2 . . ?
C20 C8 C27 117.5(3) . . ?
C20 C8 C12 120.7(2) . . ?
C27 C8 C12 121.8(2) . . ?
C7 C9 C15 121.1(3) . . ?
C7 C9 H9 119.5 . . ?
C15 C9 H9 119.5 . . ?
C24 C10 O1 121.4(2) . . ?
C24 C10 C15 127.9(2) . . ?
O1 C10 C15 110.6(2) . . ?
C5 C11 S2 114.5(2) . . ?
C5 C11 H11A 108.6 . . ?
S2 C11 H11A 108.6 . . ?
C5 C11 H11B 108.6 . . ?
S2 C11 H11B 108.6 . . ?
H11A C11 H11B 107.6 . . ?
C4 C12 C8 122.3(2) . . ?
C4 C12 C26 120.9(2) . . ?
C8 C12 C26 116.8(2) . . ?
C25 C13 C22 119.7(3) . . ?
C25 C13 H13 120.2 . . ?
C22 C13 H13 120.2 . . ?
C23 C14 C17 119.2(3) . . ?
C23 C14 H14 120.4 . . ?
C17 C14 H14 120.4 . . ?
C9 C15 C22 117.9(2) . . ?
C9 C15 C10 120.4(2) . . ?
C22 C15 C10 121.6(2) . . ?
C4 C16 S2 108.69(17) . . ?
C4 C16 S1 109.78(18) . . ?
S2 C16 S1 112.84(13) . . ?
C4 C16 H16 108.5 . . ?
S2 C16 H16 108.5 . . ?
S1 C16 H16 108.5 . . ?
C14 C17 C20 120.4(3) . . ?
C14 C17 H17 119.8 . . ?
C20 C17 H17 119.8 . . ?
C19 C18 C6 119.2(3) . . ?
C19 C18 H18 120.4 . . ?
C6 C18 H18 120.4 . . ?
C21 C19 C18 120.4(3) . . ?
C21 C19 Cl2 120.1(3) . . ?
C18 C19 Cl2 119.5(2) . . ?
C17 C20 C8 121.1(3) . . ?
C17 C20 H20 119.5 . . ?
C8 C20 H20 119.5 . . ?
C19 C21 C2 119.5(3) . . ?
C19 C21 H21 120.2 . . ?
C2 C21 H21 120.2 . . ?
C13 C22 C15 120.9(3) . . ?
C13 C22 H22 119.5 . . ?
C15 C22 H22 119.5 . . ?
C14 C23 C27 120.9(3) . . ?
C14 C23 H23 119.6 . . ?
C27 C23 H23 119.6 . . ?
C10 C24 C26 124.3(2) . . ?
C10 C24 H24 117.9 . . ?
C26 C24 H24 117.9 . . ?
C7 C25 C13 120.8(3) . . ?
C7 C25 Cl1 120.1(3) . . ?
C13 C25 Cl1 119.1(2) . . ?
C24 C26 C1 110.6(2) . . ?
C24 C26 C12 110.2(2) . . ?
C1 C26 C12 111.0(2) . . ?
C24 C26 H26 108.3 . . ?
C1 C26 H26 108.3 . . ?
C12 C26 H26 108.3 . . ?
C23 C27 C8 120.9(3) . . ?
C23 C27 H27 119.6 . . ?
C8 C27 H27 119.6 . . ?

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 C21 2.5(5) . . . . ?
C26 C1 C2 C21 -179.1(3) . . . . ?
C16 S1 C3 C5 -59.6(3) . . . . ?
C10 O1 C4 C12 3.2(4) . . . . ?
C10 O1 C4 C16 -176.5(2) . . . . ?
S1 C3 C5 C11 66.0(4) . . . . ?
C2 C1 C6 C18 -1.5(4) . . . . ?
C26 C1 C6 C18 -179.9(3) . . . . ?
C25 C7 C9 C15 -0.4(4) . . . . ?
C4 O1 C10 C24 -7.0(4) . . . . ?
C4 O1 C10 C15 170.4(2) . . . . ?
C3 C5 C11 S2 -65.9(4) . . . . ?
C16 S2 C11 C5 59.7(3) . . . . ?
O1 C4 C12 C8 -176.8(2) . . . . ?
C16 C4 C12 C8 2.9(4) . . . . ?
O1 C4 C12 C26 2.3(4) . . . . ?
C16 C4 C12 C26 -178.0(2) . . . . ?
C20 C8 C12 C4 -119.2(3) . . . . ?
C27 C8 C12 C4 62.4(4) . . . . ?
C20 C8 C12 C26 61.6(3) . . . . ?
C27 C8 C12 C26 -116.7(3) . . . . ?
C7 C9 C15 C22 2.6(4) . . . . ?
C7 C9 C15 C10 -172.8(3) . . . . ?
C24 C10 C15 C9 170.8(3) . . . . ?
O1 C10 C15 C9 -6.4(3) . . . . ?
C24 C10 C15 C22 -4.4(4) . . . . ?
O1 C10 C15 C22 178.4(2) . . . . ?
C12 C4 C16 S2 -108.8(3) . . . . ?
O1 C4 C16 S2 71.0(2) . . . . ?
C12 C4 C16 S1 127.4(3) . . . . ?
O1 C4 C16 S1 -52.9(2) . . . . ?
C11 S2 C16 C4 177.6(2) . . . . ?
C11 S2 C16 S1 -60.36(18) . . . . ?
C3 S1 C16 C4 -178.3(2) . . . . ?
C3 S1 C16 S2 60.32(19) . . . . ?
C23 C14 C17 C20 -1.8(5) . . . . ?
C1 C6 C18 C19 -1.0(4) . . . . ?
C6 C18 C19 C21 2.5(5) . . . . ?
C6 C18 C19 Cl2 -179.1(2) . . . . ?
C14 C17 C20 C8 2.5(5) . . . . ?
C27 C8 C20 C17 -1.4(4) . . . . ?
C12 C8 C20 C17 -179.9(3) . . . . ?
C18 C19 C21 C2 -1.5(5) . . . . ?
Cl2 C19 C21 C2 -179.9(3) . . . . ?
C1 C2 C21 C19 -1.1(5) . . . . ?
C25 C13 C22 C15 0.6(5) . . . . ?
C9 C15 C22 C13 -2.6(4) . . . . ?
C10 C15 C22 C13 172.7(3) . . . . ?
C17 C14 C23 C27 0.2(6) . . . . ?
O1 C10 C24 C26 5.3(4) . . . . ?
C15 C10 C24 C26 -171.6(2) . . . . ?
C9 C7 C25 C13 -1.7(5) . . . . ?
C9 C7 C25 Cl1 175.6(2) . . . . ?
C22 C13 C25 C7 1.7(5) . . . . ?
C22 C13 C25 Cl1 -175.7(2) . . . . ?
C10 C24 C26 C1 123.2(3) . . . . ?
C10 C24 C26 C12 0.1(4) . . . . ?
C6 C1 C26 C24 116.5(3) . . . . ?
C2 C1 C26 C24 -61.9(3) . . . . ?
C6 C1 C26 C12 -120.8(3) . . . . ?
C2 C1 C26 C12 60.8(3) . . . . ?
C4 C12 C26 C24 -3.8(3) . . . . ?
C8 C12 C26 C24 175.4(2) . . . . ?
C4 C12 C26 C1 -126.7(2) . . . . ?
C8 C12 C26 C1 52.5(3) . . . . ?
C14 C23 C27 C8 0.9(6) . . . . ?
C20 C8 C27 C23 -0.2(5) . . . . ?
C12 C8 C27 C23 178.2(3) . . . . ?

_refine_diff_density_max         0.489
_refine_diff_density_min         -0.445
_refine_diff_density_rms         0.053

