# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_x
_database_code_depnum_ccdc_archive 'CCDC 1008219'
_audit_update_record             
;
2014-06-13 deposited with the CCDC.
2015-12-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H23 N2 O5 S'
_chemical_formula_weight         475.52

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'
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'

_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                   11.126(2)
_cell_length_b                   11.135(2)
_cell_length_c                   11.580(2)
_cell_angle_alpha                64.26(3)
_cell_angle_beta                 64.90(3)
_cell_angle_gamma                89.98(3)
_cell_volume                     1140.1(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    25
_cell_measurement_theta_min      9
_cell_measurement_theta_max      13

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             498
_exptl_absorpt_coefficient_mu    0.184
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_correction_T_min  0.9470
_exptl_absorpt_correction_T_max  0.9819
_exptl_absorpt_process_details   '(North, Phillips & Mathews,1968)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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  'Nonius CAD4'
_diffrn_measurement_method       ω/2θ
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         3
_diffrn_standards_interval_count 200
_diffrn_standards_interval_time  2h
_diffrn_standards_decay_%        1
_diffrn_reflns_number            4425
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_av_sigmaI/netI    0.0976
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.07
_diffrn_reflns_theta_max         25.38
_reflns_number_total             4190
_reflns_number_gt                2148
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0800P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4190
_refine_ls_number_parameters     307
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1526
_refine_ls_R_factor_gt           0.0695
_refine_ls_wR_factor_ref         0.1852
_refine_ls_wR_factor_gt          0.1456
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_restrained_S_all      1.019
_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
S S 0.75469(12) 0.96950(12) 0.46928(13) 0.0478(4) Uani 1 1 d . . .
O1 O 0.5875(3) 0.5580(3) 0.7423(3) 0.0557(9) Uani 1 1 d . . .
H1A H 0.5819 0.5548 0.8165 0.084 Uiso 1 1 calc R . .
N1 N 0.5804(4) 0.7537(3) 0.5476(4) 0.0437(9) Uani 1 1 d . . .
C1 C 0.5023(4) 0.6390(4) 0.7000(5) 0.0422(11) Uani 1 1 d . . .
N2 N 0.5939(4) 0.8785(3) 0.5513(4) 0.0430(9) Uani 1 1 d . . .
O2 O 0.5448(4) 0.8515(4) 0.3455(4) 0.0687(10) Uani 1 1 d . . .
C2 C 0.4035(5) 0.5579(5) 0.6865(5) 0.0498(12) Uani 1 1 d . . .
O3 O 0.3510(4) 0.5243(3) 1.0138(3) 0.0651(10) Uani 1 1 d . . .
C3 C 0.3173(5) 0.4331(5) 0.7868(6) 0.0694(16) Uani 1 1 d . . .
H3A H 0.3104 0.3862 0.8790 0.083 Uiso 1 1 calc R . .
O4 O 0.8194(3) 0.9712(3) 0.3329(3) 0.0665(10) Uani 1 1 d . . .
C4 C 0.2386(7) 0.3775(7) 0.7451(9) 0.097(2) Uani 1 1 d . . .
H4B H 0.1776 0.2930 0.8107 0.117 Uiso 1 1 calc R . .
O5 O 0.7369(3) 1.0923(3) 0.4782(4) 0.0672(10) Uani 1 1 d . . .
C5 C 0.2528(7) 0.4500(8) 0.6044(9) 0.089(2) Uani 1 1 d . . .
H5B H 0.2014 0.4126 0.5773 0.107 Uiso 1 1 calc R . .
C6 C 0.3406(6) 0.5742(7) 0.5071(7) 0.0769(17) Uani 1 1 d . . .
H6A H 0.3491 0.6220 0.4143 0.092 Uiso 1 1 calc R . .
C7 C 0.4155(5) 0.6274(5) 0.5474(5) 0.0515(12) Uani 1 1 d . . .
C8 C 0.5173(5) 0.7561(5) 0.4615(5) 0.0464(12) Uani 1 1 d . . .
C9 C 0.5061(4) 0.8492(4) 0.6959(4) 0.0419(11) Uani 1 1 d . . .
H9A H 0.4925 0.9148 0.7268 0.050 Uiso 1 1 calc R . .
C10 C 0.4444(4) 0.7160(4) 0.7837(5) 0.0415(11) Uani 1 1 d . . .
C11 C 0.3513(4) 0.6439(4) 0.9438(4) 0.0441(11) Uani 1 1 d . . .
C12 C 0.2655(4) 0.7181(4) 1.0136(4) 0.0412(11) Uani 1 1 d . . .
C13 C 0.2223(4) 0.8299(5) 0.9400(5) 0.0543(13) Uani 1 1 d . . .
H13A H 0.2496 0.8614 0.8420 0.065 Uiso 1 1 calc R . .
C14 C 0.1407(5) 0.8938(5) 1.0091(6) 0.0634(15) Uani 1 1 d . . .
H14A H 0.1128 0.9685 0.9581 0.076 Uiso 1 1 calc R . .
C15 C 0.0995(5) 0.8489(6) 1.1530(6) 0.0720(17) Uani 1 1 d . . .
H15A H 0.0444 0.8935 1.1995 0.086 Uiso 1 1 calc R . .
C16 C 0.1395(6) 0.7375(6) 1.2292(6) 0.0762(18) Uani 1 1 d . . .
H16A H 0.1102 0.7060 1.3275 0.091 Uiso 1 1 calc R . .
C17 C 0.2231(5) 0.6724(5) 1.1594(5) 0.0658(16) Uani 1 1 d . . .
H17A H 0.2509 0.5978 1.2106 0.079 Uiso 1 1 calc R . .
C18 C 0.8293(4) 0.8771(4) 0.5762(5) 0.0479(12) Uani 1 1 d . . .
C19 C 0.8260(5) 0.8995(5) 0.6838(5) 0.0574(13) Uani 1 1 d . . .
H19A H 0.7833 0.9660 0.7017 0.069 Uiso 1 1 calc R . .
C20 C 0.8857(5) 0.8238(6) 0.7668(5) 0.0654(15) Uani 1 1 d . . .
H20A H 0.8848 0.8422 0.8382 0.078 Uiso 1 1 calc R . .
C21 C 0.9457(5) 0.7234(5) 0.7466(5) 0.0569(14) Uani 1 1 d . . .
C22 C 0.9484(5) 0.7015(5) 0.6394(5) 0.0562(13) Uani 1 1 d . . .
H22A H 0.9908 0.6342 0.6235 0.067 Uiso 1 1 calc R . .
C23 C 0.8907(5) 0.7748(4) 0.5518(5) 0.0503(12) Uani 1 1 d . . .
H23A H 0.8930 0.7566 0.4799 0.060 Uiso 1 1 calc R . .
C24 C 1.0127(6) 0.6439(6) 0.8367(7) 0.099(2) Uani 1 1 d . . .
H24A H 1.0509 0.5785 0.8071 0.148 Uiso 1 1 calc R . .
H24B H 0.9461 0.5969 0.9375 0.148 Uiso 1 1 calc R . .
H24C H 1.0838 0.7059 0.8227 0.148 Uiso 1 1 calc R . .
C26 C 0.5119(9) 0.9477(8) 1.0689(8) 0.162(4) Uani 1 1 d D . .
H26A H 0.5788 0.9912 1.0801 0.194 Uiso 1 1 calc R . .
H26B H 0.4280 0.9022 1.1599 0.194 Uiso 1 1 calc R . .
C25 C 0.5608(5) 0.8639(6) 1.0096(6) 0.0583(15) Uani 1 1 d D . .
H25A H 0.5831 0.7897 1.0739 0.087 Uiso 1 1 calc R . .
H25B H 0.6410 0.9152 0.9177 0.087 Uiso 1 1 calc R . .
H25C H 0.4926 0.8281 0.9956 0.087 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
S O4 1.422(3) . ?
S O5 1.423(3) . ?
S N2 1.689(4) . ?
S C18 1.745(5) . ?
O1 C1 1.401(5) . ?
O1 H1A 0.8200 . ?
N1 N2 1.419(4) . ?
N1 C8 1.435(5) . ?
N1 C1 1.498(5) . ?
C1 C10 1.510(5) . ?
C1 C2 1.521(6) . ?
N2 C9 1.415(5) . ?
O2 C8 1.200(5) . ?
C2 C3 1.362(6) . ?
C2 C7 1.395(6) . ?
O3 C11 1.222(4) . ?
C3 C4 1.414(8) . ?
C3 H3A 0.9300 . ?
C4 C5 1.403(9) . ?
C4 H4B 0.9300 . ?
C5 C6 1.361(8) . ?
C5 H5B 0.9300 . ?
C6 C7 1.354(7) . ?
C6 H6A 0.9300 . ?
C7 C8 1.461(7) . ?
C9 C10 1.343(6) . ?
C9 H9A 0.9300 . ?
C10 C11 1.495(6) . ?
C11 C12 1.472(6) . ?
C12 C17 1.382(6) . ?
C12 C13 1.391(6) . ?
C13 C14 1.360(6) . ?
C13 H13A 0.9300 . ?
C14 C15 1.366(7) . ?
C14 H14A 0.9300 . ?
C15 C16 1.377(7) . ?
C15 H15A 0.9300 . ?
C16 C17 1.384(6) . ?
C16 H16A 0.9300 . ?
C17 H17A 0.9300 . ?
C18 C19 1.359(6) . ?
C18 C23 1.399(6) . ?
C19 C20 1.384(6) . ?
C19 H19A 0.9300 . ?
C20 C21 1.358(7) . ?
C20 H20A 0.9300 . ?
C21 C22 1.353(6) . ?
C21 C24 1.513(7) . ?
C22 C23 1.392(6) . ?
C22 H22A 0.9300 . ?
C23 H23A 0.9300 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C26 C25 1.370(7) . ?
C26 C26 1.649(13) 2_677 ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 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
O4 S O5 121.4(2) . . ?
O4 S N2 104.9(2) . . ?
O5 S N2 103.79(19) . . ?
O4 S C18 109.8(2) . . ?
O5 S C18 109.3(2) . . ?
N2 S C18 106.56(19) . . ?
C1 O1 H1A 109.5 . . ?
N2 N1 C8 112.8(3) . . ?
N2 N1 C1 109.0(3) . . ?
C8 N1 C1 110.9(4) . . ?
O1 C1 N1 111.2(3) . . ?
O1 C1 C10 113.7(4) . . ?
N1 C1 C10 101.6(3) . . ?
O1 C1 C2 109.9(3) . . ?
N1 C1 C2 101.8(3) . . ?
C10 C1 C2 117.6(4) . . ?
C9 N2 N1 106.3(3) . . ?
C9 N2 S 118.3(3) . . ?
N1 N2 S 116.1(3) . . ?
C3 C2 C7 121.4(5) . . ?
C3 C2 C1 128.5(5) . . ?
C7 C2 C1 110.0(4) . . ?
C2 C3 C4 117.4(6) . . ?
C2 C3 H3A 121.3 . . ?
C4 C3 H3A 121.3 . . ?
C5 C4 C3 119.9(6) . . ?
C5 C4 H4B 120.0 . . ?
C3 C4 H4B 120.0 . . ?
C6 C5 C4 121.0(6) . . ?
C6 C5 H5B 119.5 . . ?
C4 C5 H5B 119.5 . . ?
C7 C6 C5 119.0(6) . . ?
C7 C6 H6A 120.5 . . ?
C5 C6 H6A 120.5 . . ?
C6 C7 C2 121.4(5) . . ?
C6 C7 C8 128.6(5) . . ?
C2 C7 C8 110.0(4) . . ?
O2 C8 N1 123.4(5) . . ?
O2 C8 C7 130.5(5) . . ?
N1 C8 C7 106.1(4) . . ?
C10 C9 N2 112.4(4) . . ?
C10 C9 H9A 123.8 . . ?
N2 C9 H9A 123.8 . . ?
C9 C10 C11 128.5(4) . . ?
C9 C10 C1 108.7(4) . . ?
C11 C10 C1 122.0(4) . . ?
O3 C11 C12 121.8(4) . . ?
O3 C11 C10 118.1(4) . . ?
C12 C11 C10 120.0(4) . . ?
C17 C12 C13 118.5(4) . . ?
C17 C12 C11 118.6(4) . . ?
C13 C12 C11 122.8(4) . . ?
C14 C13 C12 121.0(4) . . ?
C14 C13 H13A 119.5 . . ?
C12 C13 H13A 119.5 . . ?
C13 C14 C15 120.3(5) . . ?
C13 C14 H14A 119.8 . . ?
C15 C14 H14A 119.8 . . ?
C14 C15 C16 120.0(5) . . ?
C14 C15 H15A 120.0 . . ?
C16 C15 H15A 120.0 . . ?
C15 C16 C17 120.0(5) . . ?
C15 C16 H16A 120.0 . . ?
C17 C16 H16A 120.0 . . ?
C12 C17 C16 120.1(4) . . ?
C12 C17 H17A 119.9 . . ?
C16 C17 H17A 119.9 . . ?
C19 C18 C23 119.7(4) . . ?
C19 C18 S 121.9(4) . . ?
C23 C18 S 118.4(4) . . ?
C18 C19 C20 120.3(5) . . ?
C18 C19 H19A 119.9 . . ?
C20 C19 H19A 119.9 . . ?
C21 C20 C19 121.6(5) . . ?
C21 C20 H20A 119.2 . . ?
C19 C20 H20A 119.2 . . ?
C22 C21 C20 117.8(5) . . ?
C22 C21 C24 121.5(5) . . ?
C20 C21 C24 120.6(5) . . ?
C21 C22 C23 123.2(5) . . ?
C21 C22 H22A 118.4 . . ?
C23 C22 H22A 118.4 . . ?
C22 C23 C18 117.4(4) . . ?
C22 C23 H23A 121.3 . . ?
C18 C23 H23A 121.3 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C25 C26 C26 93.2(7) . 2_677 ?
C25 C26 H26A 113.1 . . ?
C26 C26 H26A 113.1 2_677 . ?
C25 C26 H26B 113.1 . . ?
C26 C26 H26B 113.1 2_677 . ?
H26A C26 H26B 110.5 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 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
N2 N1 C1 O1 -107.5(4) . . . . ?
C8 N1 C1 O1 127.7(4) . . . . ?
N2 N1 C1 C10 13.7(4) . . . . ?
C8 N1 C1 C10 -111.1(4) . . . . ?
N2 N1 C1 C2 135.5(3) . . . . ?
C8 N1 C1 C2 10.7(4) . . . . ?
C8 N1 N2 C9 112.7(4) . . . . ?
C1 N1 N2 C9 -10.9(4) . . . . ?
C8 N1 N2 S -113.3(3) . . . . ?
C1 N1 N2 S 123.1(3) . . . . ?
O4 S N2 C9 175.0(3) . . . . ?
O5 S N2 C9 -56.7(3) . . . . ?
C18 S N2 C9 58.6(4) . . . . ?
O4 S N2 N1 46.7(3) . . . . ?
O5 S N2 N1 175.0(3) . . . . ?
C18 S N2 N1 -69.7(3) . . . . ?
O1 C1 C2 C3 53.5(6) . . . . ?
N1 C1 C2 C3 171.4(5) . . . . ?
C10 C1 C2 C3 -78.7(6) . . . . ?
O1 C1 C2 C7 -123.7(4) . . . . ?
N1 C1 C2 C7 -5.7(4) . . . . ?
C10 C1 C2 C7 104.2(4) . . . . ?
C7 C2 C3 C4 -1.0(8) . . . . ?
C1 C2 C3 C4 -177.9(5) . . . . ?
C2 C3 C4 C5 0.9(9) . . . . ?
C3 C4 C5 C6 -0.6(10) . . . . ?
C4 C5 C6 C7 0.4(9) . . . . ?
C5 C6 C7 C2 -0.5(8) . . . . ?
C5 C6 C7 C8 178.6(5) . . . . ?
C3 C2 C7 C6 0.9(7) . . . . ?
C1 C2 C7 C6 178.3(4) . . . . ?
C3 C2 C7 C8 -178.4(4) . . . . ?
C1 C2 C7 C8 -1.0(5) . . . . ?
N2 N1 C8 O2 43.1(6) . . . . ?
C1 N1 C8 O2 165.7(4) . . . . ?
N2 N1 C8 C7 -134.2(4) . . . . ?
C1 N1 C8 C7 -11.6(4) . . . . ?
C6 C7 C8 O2 11.5(9) . . . . ?
C2 C7 C8 O2 -169.4(5) . . . . ?
C6 C7 C8 N1 -171.5(5) . . . . ?
C2 C7 C8 N1 7.7(5) . . . . ?
N1 N2 C9 C10 3.1(5) . . . . ?
S N2 C9 C10 -129.7(3) . . . . ?
N2 C9 C10 C11 176.3(4) . . . . ?
N2 C9 C10 C1 6.0(5) . . . . ?
O1 C1 C10 C9 107.7(4) . . . . ?
N1 C1 C10 C9 -11.9(4) . . . . ?
C2 C1 C10 C9 -121.9(4) . . . . ?
O1 C1 C10 C11 -63.4(5) . . . . ?
N1 C1 C10 C11 177.1(4) . . . . ?
C2 C1 C10 C11 67.1(5) . . . . ?
C9 C10 C11 O3 -149.3(5) . . . . ?
C1 C10 C11 O3 19.8(6) . . . . ?
C9 C10 C11 C12 29.3(7) . . . . ?
C1 C10 C11 C12 -161.6(4) . . . . ?
O3 C11 C12 C17 23.7(7) . . . . ?
C10 C11 C12 C17 -154.9(5) . . . . ?
O3 C11 C12 C13 -154.6(5) . . . . ?
C10 C11 C12 C13 26.9(7) . . . . ?
C17 C12 C13 C14 0.3(7) . . . . ?
C11 C12 C13 C14 178.6(5) . . . . ?
C12 C13 C14 C15 -0.1(8) . . . . ?
C13 C14 C15 C16 -0.6(9) . . . . ?
C14 C15 C16 C17 1.0(9) . . . . ?
C13 C12 C17 C16 0.0(8) . . . . ?
C11 C12 C17 C16 -178.3(5) . . . . ?
C15 C16 C17 C12 -0.7(9) . . . . ?
O4 S C18 C19 155.0(4) . . . . ?
O5 S C18 C19 19.6(5) . . . . ?
N2 S C18 C19 -91.9(4) . . . . ?
O4 S C18 C23 -26.7(4) . . . . ?
O5 S C18 C23 -162.1(3) . . . . ?
N2 S C18 C23 86.3(4) . . . . ?
C23 C18 C19 C20 1.5(7) . . . . ?
S C18 C19 C20 179.7(4) . . . . ?
C18 C19 C20 C21 -1.8(8) . . . . ?
C19 C20 C21 C22 1.6(8) . . . . ?
C19 C20 C21 C24 178.8(5) . . . . ?
C20 C21 C22 C23 -1.3(8) . . . . ?
C24 C21 C22 C23 -178.4(5) . . . . ?
C21 C22 C23 C18 1.0(7) . . . . ?
C19 C18 C23 C22 -1.1(7) . . . . ?
S C18 C23 C22 -179.4(4) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.38
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.563
_refine_diff_density_min         -0.383
_refine_diff_density_rms         0.058
