# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2020

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1963375'
loop_
_audit_author_name
_audit_author_address
'Deng Yu-Hua'
;Yunnan University
China
;
_audit_update_record             
;
2019-11-04 deposited with the CCDC.	2020-01-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          '216-217 oC'
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H25 N O4 S'
_chemical_formula_weight         519.59

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_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+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   9.778(7)
_cell_length_b                   15.230(11)
_cell_length_c                   17.325(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2580(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    2170
_cell_measurement_theta_min      2.48
_cell_measurement_theta_max      19.07

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            COLOURLESS
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.338
_exptl_crystal_F_000             1088
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.310
_exptl_crystal_size_min          0.250
_exptl_absorpt_coefficient_mu    0.165
_shelx_estimated_absorpt_T_min   0.944
_shelx_estimated_absorpt_T_max   0.960
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.944
_exptl_absorpt_correction_T_max  0.960
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14848
_diffrn_reflns_av_unetI/netI     0.0546
_diffrn_reflns_av_R_equivalents  0.0511
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.780
_diffrn_reflns_theta_max         25.149
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             4625
_reflns_number_gt                3172
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.761
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    0.991

_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       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014 (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'

_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0564P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.02(12)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         4625
_refine_ls_number_parameters     346
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0735
_refine_ls_R_factor_gt           0.0432
_refine_ls_wR_factor_ref         0.1137
_refine_ls_wR_factor_gt          0.0956
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_restrained_S_all      0.976
_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_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
S1 S 0.55933(11) 0.73217(7) 0.56926(7) 0.0601(3) Uani 1 1 d . . . . .
O1 O 0.6233(3) 0.81002(18) 0.53956(19) 0.0786(10) Uani 1 1 d . . . . .
O2 O 0.4324(3) 0.7393(2) 0.60908(18) 0.0849(10) Uani 1 1 d . . . . .
O3 O 0.6229(3) 0.48068(16) 0.72291(15) 0.0592(8) Uani 1 1 d . . . . .
O4 O 0.9497(3) 0.6071(2) 0.5651(2) 0.0792(9) Uani 1 1 d . . . . .
H4 H 1.0161 0.6312 0.5455 0.119 Uiso 1 1 calc R U . . .
N1 N 0.6698(3) 0.6912(2) 0.63052(18) 0.0526(8) Uani 1 1 d . . . . .
H1 H 0.7469 0.6819 0.6081 0.063 Uiso 1 1 d R U . . .
C1 C 0.5214(9) 0.4592(3) 0.3213(3) 0.141(3) Uani 1 1 d . . . . .
H1A H 0.5350 0.4835 0.2708 0.211 Uiso 1 1 calc R U . . .
H1B H 0.4337 0.4310 0.3235 0.211 Uiso 1 1 calc R U . . .
H1C H 0.5918 0.4169 0.3318 0.211 Uiso 1 1 calc R U . . .
C2 C 0.5273(8) 0.5308(3) 0.3799(3) 0.0866(17) Uani 1 1 d . . . . .
C3 C 0.6428(6) 0.5810(3) 0.3892(3) 0.0807(15) Uani 1 1 d . . . . .
H3 H 0.7166 0.5721 0.3563 0.097 Uiso 1 1 calc R U . . .
C4 C 0.6525(5) 0.6436(3) 0.4452(3) 0.0640(12) Uani 1 1 d . . . . .
H4A H 0.7320 0.6765 0.4505 0.077 Uiso 1 1 calc R U . . .
C5 C 0.5436(4) 0.6575(2) 0.4939(2) 0.0511(10) Uani 1 1 d . . . . .
C6 C 0.4250(5) 0.6111(4) 0.4843(3) 0.0808(15) Uani 1 1 d . . . . .
H6 H 0.3499 0.6213 0.5160 0.097 Uiso 1 1 calc R U . . .
C7 C 0.4194(7) 0.5482(4) 0.4261(4) 0.0973(18) Uani 1 1 d . . . . .
H7 H 0.3386 0.5171 0.4187 0.117 Uiso 1 1 calc R U . . .
C8 C 0.6669(4) 0.5333(2) 0.6630(2) 0.0460(9) Uani 1 1 d . . . . .
C9 C 0.6323(4) 0.6172(2) 0.6759(2) 0.0476(9) Uani 1 1 d . . . . .
C10 C 0.5579(4) 0.6209(3) 0.7479(2) 0.0524(10) Uani 1 1 d . . . . .
C11 C 0.4950(4) 0.6857(3) 0.7913(3) 0.0684(12) Uani 1 1 d . . . . .
H11 H 0.4949 0.7439 0.7751 0.082 Uiso 1 1 calc R U . . .
C12 C 0.4330(5) 0.6613(4) 0.8589(3) 0.0796(14) Uani 1 1 d . . . . .
H12 H 0.3904 0.7038 0.8890 0.095 Uiso 1 1 calc R U . . .
C13 C 0.4321(5) 0.5754(4) 0.8832(3) 0.0802(14) Uani 1 1 d . . . . .
H13 H 0.3892 0.5614 0.9295 0.096 Uiso 1 1 calc R U . . .
C14 C 0.4934(4) 0.5091(3) 0.8407(3) 0.0707(13) Uani 1 1 d . . . . .
H14 H 0.4932 0.4509 0.8568 0.085 Uiso 1 1 calc R U . . .
C15 C 0.5546(4) 0.5355(3) 0.7731(2) 0.0549(10) Uani 1 1 d . . . . .
C16 C 0.7459(4) 0.4915(3) 0.5992(2) 0.0489(10) Uani 1 1 d . . . . .
H16 H 0.7541 0.5381 0.5604 0.059 Uiso 1 1 calc R U . . .
C17 C 0.6707(4) 0.4184(2) 0.5575(2) 0.0501(10) Uani 1 1 d . . . . .
C18 C 0.5324(4) 0.4048(3) 0.5661(3) 0.0673(12) Uani 1 1 d . . . . .
H18 H 0.4844 0.4371 0.6027 0.081 Uiso 1 1 calc R U . . .
C19 C 0.4636(6) 0.3442(3) 0.5217(3) 0.0846(16) Uani 1 1 d . . . . .
H19 H 0.3702 0.3358 0.5286 0.102 Uiso 1 1 calc R U . . .
C20 C 0.5325(7) 0.2963(3) 0.4673(3) 0.0846(16) Uani 1 1 d . . . . .
H20 H 0.4864 0.2554 0.4371 0.102 Uiso 1 1 calc R U . . .
C21 C 0.6693(6) 0.3092(3) 0.4578(3) 0.0800(15) Uani 1 1 d . . . . .
H21 H 0.7167 0.2766 0.4212 0.096 Uiso 1 1 calc R U . . .
C22 C 0.7385(5) 0.3702(3) 0.5019(2) 0.0640(12) Uani 1 1 d . . . . .
H22 H 0.8316 0.3789 0.4941 0.077 Uiso 1 1 calc R U . . .
C23 C 0.8939(4) 0.4720(2) 0.6224(2) 0.0467(9) Uani 1 1 d . . . . .
C24 C 0.9915(4) 0.5317(3) 0.6027(2) 0.0579(11) Uani 1 1 d . . . . .
C25 C 1.1301(5) 0.5198(4) 0.6211(3) 0.0780(14) Uani 1 1 d . . . . .
H25 H 1.1949 0.5610 0.6059 0.094 Uiso 1 1 calc R U . . .
C26 C 1.1685(5) 0.4476(3) 0.6612(3) 0.0808(15) Uani 1 1 d . . . . .
H26 H 1.2605 0.4395 0.6728 0.097 Uiso 1 1 calc R U . . .
C27 C 1.0731(5) 0.3847(3) 0.6857(2) 0.0603(11) Uani 1 1 d . . . . .
C28 C 1.1127(5) 0.3123(3) 0.7305(3) 0.0752(14) Uani 1 1 d . . . . .
H28 H 1.2046 0.3045 0.7425 0.090 Uiso 1 1 calc R U . . .
C29 C 1.0205(6) 0.2541(3) 0.7563(3) 0.0788(15) Uani 1 1 d . . . . .
H29 H 1.0485 0.2072 0.7868 0.095 Uiso 1 1 calc R U . . .
C30 C 0.8816(5) 0.2638(3) 0.7373(2) 0.0674(12) Uani 1 1 d . . . . .
H30 H 0.8182 0.2227 0.7544 0.081 Uiso 1 1 calc R U . . .
C31 C 0.8396(4) 0.3336(2) 0.6936(2) 0.0548(11) Uani 1 1 d . . . . .
H31 H 0.7474 0.3395 0.6818 0.066 Uiso 1 1 calc R U . . .
C32 C 0.9334(4) 0.3969(2) 0.6662(2) 0.0477(9) Uani 1 1 d . . . . .


_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
S1 O2 1.424(3) . ?
S1 O1 1.436(3) . ?
S1 N1 1.638(3) . ?
S1 C5 1.738(4) . ?
O3 C15 1.378(4) . ?
O3 C8 1.380(4) . ?
O4 C24 1.381(5) . ?
N1 C9 1.423(5) . ?
C1 C2 1.492(7) . ?
C2 C7 1.350(8) . ?
C2 C3 1.373(7) . ?
C3 C4 1.363(6) . ?
C4 C5 1.374(6) . ?
C5 C6 1.368(6) . ?
C6 C7 1.393(7) . ?
C8 C9 1.340(5) . ?
C8 C16 1.491(5) . ?
C9 C10 1.445(5) . ?
C10 C15 1.372(5) . ?
C10 C11 1.385(5) . ?
C11 C12 1.370(6) . ?
C12 C13 1.374(6) . ?
C13 C14 1.386(6) . ?
C14 C15 1.375(6) . ?
C16 C17 1.518(5) . ?
C16 C23 1.531(5) . ?
C17 C18 1.377(6) . ?
C17 C22 1.380(5) . ?
C18 C19 1.377(6) . ?
C19 C20 1.369(7) . ?
C20 C21 1.362(8) . ?
C21 C22 1.379(6) . ?
C23 C24 1.362(5) . ?
C23 C32 1.426(5) . ?
C24 C25 1.404(6) . ?
C25 C26 1.353(6) . ?
C26 C27 1.403(6) . ?
C27 C28 1.403(6) . ?
C27 C32 1.419(6) . ?
C28 C29 1.342(7) . ?
C29 C30 1.405(7) . ?
C30 C31 1.368(5) . ?
C31 C32 1.413(5) . ?

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
O2 S1 O1 119.3(2) . . ?
O2 S1 N1 106.84(18) . . ?
O1 S1 N1 105.05(18) . . ?
O2 S1 C5 109.7(2) . . ?
O1 S1 C5 108.0(2) . . ?
N1 S1 C5 107.22(18) . . ?
C15 O3 C8 105.9(3) . . ?
C9 N1 S1 119.4(3) . . ?
C7 C2 C3 117.7(5) . . ?
C7 C2 C1 121.1(6) . . ?
C3 C2 C1 121.2(7) . . ?
C4 C3 C2 122.0(5) . . ?
C3 C4 C5 119.4(5) . . ?
C6 C5 C4 120.1(4) . . ?
C6 C5 S1 120.3(4) . . ?
C4 C5 S1 119.6(3) . . ?
C5 C6 C7 118.5(5) . . ?
C2 C7 C6 122.2(5) . . ?
C9 C8 O3 110.5(3) . . ?
C9 C8 C16 131.4(4) . . ?
O3 C8 C16 118.1(3) . . ?
C8 C9 N1 126.8(4) . . ?
C8 C9 C10 107.9(3) . . ?
N1 C9 C10 125.2(3) . . ?
C15 C10 C11 119.5(4) . . ?
C15 C10 C9 104.5(3) . . ?
C11 C10 C9 136.1(4) . . ?
C12 C11 C10 117.9(4) . . ?
C11 C12 C13 121.6(5) . . ?
C12 C13 C14 121.8(5) . . ?
C15 C14 C13 115.4(4) . . ?
C10 C15 C14 123.9(4) . . ?
C10 C15 O3 111.2(3) . . ?
C14 C15 O3 124.9(4) . . ?
C8 C16 C17 114.6(3) . . ?
C8 C16 C23 112.2(3) . . ?
C17 C16 C23 116.1(3) . . ?
C18 C17 C22 117.9(4) . . ?
C18 C17 C16 122.3(4) . . ?
C22 C17 C16 119.4(4) . . ?
C17 C18 C19 121.3(5) . . ?
C20 C19 C18 120.1(5) . . ?
C21 C20 C19 119.3(5) . . ?
C20 C21 C22 120.8(5) . . ?
C21 C22 C17 120.6(5) . . ?
C24 C23 C32 118.7(4) . . ?
C24 C23 C16 117.8(4) . . ?
C32 C23 C16 123.5(3) . . ?
C23 C24 O4 117.8(4) . . ?
C23 C24 C25 122.2(4) . . ?
O4 C24 C25 120.1(4) . . ?
C26 C25 C24 119.3(5) . . ?
C25 C26 C27 121.7(5) . . ?
C28 C27 C26 121.3(4) . . ?
C28 C27 C32 120.0(4) . . ?
C26 C27 C32 118.6(4) . . ?
C29 C28 C27 121.2(4) . . ?
C28 C29 C30 120.1(4) . . ?
C31 C30 C29 120.1(5) . . ?
C30 C31 C32 121.4(4) . . ?
C31 C32 C27 117.1(4) . . ?
C31 C32 C23 123.4(4) . . ?
C27 C32 C23 119.5(4) . . ?

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
O2 S1 N1 C9 46.6(3) . . . . ?
O1 S1 N1 C9 174.2(3) . . . . ?
C5 S1 N1 C9 -71.0(3) . . . . ?
C7 C2 C3 C4 3.2(8) . . . . ?
C1 C2 C3 C4 -176.4(4) . . . . ?
C2 C3 C4 C5 -0.3(7) . . . . ?
C3 C4 C5 C6 -2.3(6) . . . . ?
C3 C4 C5 S1 175.9(3) . . . . ?
O2 S1 C5 C6 -5.0(4) . . . . ?
O1 S1 C5 C6 -136.6(4) . . . . ?
N1 S1 C5 C6 110.7(4) . . . . ?
O2 S1 C5 C4 176.8(3) . . . . ?
O1 S1 C5 C4 45.3(4) . . . . ?
N1 S1 C5 C4 -67.5(3) . . . . ?
C4 C5 C6 C7 1.9(7) . . . . ?
S1 C5 C6 C7 -176.2(4) . . . . ?
C3 C2 C7 C6 -3.5(8) . . . . ?
C1 C2 C7 C6 176.1(5) . . . . ?
C5 C6 C7 C2 1.0(8) . . . . ?
C15 O3 C8 C9 1.9(4) . . . . ?
C15 O3 C8 C16 179.6(3) . . . . ?
O3 C8 C9 N1 174.4(3) . . . . ?
C16 C8 C9 N1 -2.9(7) . . . . ?
O3 C8 C9 C10 -1.3(4) . . . . ?
C16 C8 C9 C10 -178.7(4) . . . . ?
S1 N1 C9 C8 100.6(4) . . . . ?
S1 N1 C9 C10 -84.3(4) . . . . ?
C8 C9 C10 C15 0.2(5) . . . . ?
N1 C9 C10 C15 -175.6(4) . . . . ?
C8 C9 C10 C11 -179.0(5) . . . . ?
N1 C9 C10 C11 5.1(7) . . . . ?
C15 C10 C11 C12 0.8(6) . . . . ?
C9 C10 C11 C12 180.0(5) . . . . ?
C10 C11 C12 C13 -0.2(7) . . . . ?
C11 C12 C13 C14 -0.2(8) . . . . ?
C12 C13 C14 C15 0.0(7) . . . . ?
C11 C10 C15 C14 -1.0(7) . . . . ?
C9 C10 C15 C14 179.6(4) . . . . ?
C11 C10 C15 O3 -179.6(3) . . . . ?
C9 C10 C15 O3 1.0(5) . . . . ?
C13 C14 C15 C10 0.5(7) . . . . ?
C13 C14 C15 O3 179.0(4) . . . . ?
C8 O3 C15 C10 -1.7(5) . . . . ?
C8 O3 C15 C14 179.6(4) . . . . ?
C9 C8 C16 C17 -124.0(5) . . . . ?
O3 C8 C16 C17 58.8(4) . . . . ?
C9 C8 C16 C23 100.8(5) . . . . ?
O3 C8 C16 C23 -76.3(4) . . . . ?
C8 C16 C17 C18 13.5(5) . . . . ?
C23 C16 C17 C18 146.9(4) . . . . ?
C8 C16 C17 C22 -174.4(3) . . . . ?
C23 C16 C17 C22 -41.0(5) . . . . ?
C22 C17 C18 C19 0.9(6) . . . . ?
C16 C17 C18 C19 173.1(4) . . . . ?
C17 C18 C19 C20 -0.3(7) . . . . ?
C18 C19 C20 C21 0.1(7) . . . . ?
C19 C20 C21 C22 -0.4(7) . . . . ?
C20 C21 C22 C17 1.0(7) . . . . ?
C18 C17 C22 C21 -1.2(6) . . . . ?
C16 C17 C22 C21 -173.6(4) . . . . ?
C8 C16 C23 C24 -96.1(4) . . . . ?
C17 C16 C23 C24 129.4(4) . . . . ?
C8 C16 C23 C32 81.0(4) . . . . ?
C17 C16 C23 C32 -53.4(5) . . . . ?
C32 C23 C24 O4 -175.4(3) . . . . ?
C16 C23 C24 O4 1.9(6) . . . . ?
C32 C23 C24 C25 2.8(6) . . . . ?
C16 C23 C24 C25 -179.9(4) . . . . ?
C23 C24 C25 C26 -1.4(7) . . . . ?
O4 C24 C25 C26 176.8(4) . . . . ?
C24 C25 C26 C27 -0.7(8) . . . . ?
C25 C26 C27 C28 -176.8(4) . . . . ?
C25 C26 C27 C32 1.3(7) . . . . ?
C26 C27 C28 C29 177.4(5) . . . . ?
C32 C27 C28 C29 -0.7(7) . . . . ?
C27 C28 C29 C30 1.4(8) . . . . ?
C28 C29 C30 C31 -1.3(7) . . . . ?
C29 C30 C31 C32 0.5(6) . . . . ?
C30 C31 C32 C27 0.2(6) . . . . ?
C30 C31 C32 C23 -178.2(4) . . . . ?
C28 C27 C32 C31 -0.1(6) . . . . ?
C26 C27 C32 C31 -178.3(4) . . . . ?
C28 C27 C32 C23 178.3(4) . . . . ?
C26 C27 C32 C23 0.1(6) . . . . ?
C24 C23 C32 C31 176.1(4) . . . . ?
C16 C23 C32 C31 -1.0(6) . . . . ?
C24 C23 C32 C27 -2.2(5) . . . . ?
C16 C23 C32 C27 -179.3(4) . . . . ?

_refine_diff_density_max         0.135
_refine_diff_density_min         -0.216
_refine_diff_density_rms         0.035

_shelxl_version_number           2014-3



