# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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_s14
_database_code_depnum_ccdc_archive 'CCDC 1414571'
_audit_update_record             
;
2015-07-23 deposited with the CCDC.
2015-09-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H16 S3'
_chemical_formula_weight         400.55

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

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   7.4707(12)
_cell_length_b                   5.9227(10)
_cell_length_c                   42.784(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.760(3)
_cell_angle_gamma                90.00
_cell_volume                     1890.9(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1390
_cell_measurement_theta_min      2.75
_cell_measurement_theta_max      21.46

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.407
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             832
_exptl_absorpt_coefficient_mu    0.398
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.9140
_exptl_absorpt_correction_T_max  0.9427
_exptl_absorpt_process_details   SADABS

_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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11497
_diffrn_reflns_av_R_equivalents  0.0534
_diffrn_reflns_av_sigmaI/netI    0.0737
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_limit_l_max       57
_diffrn_reflns_theta_min         0.95
_diffrn_reflns_theta_max         28.30
_reflns_number_total             4569
_reflns_number_gt                2669
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_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)+(0.1500P)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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4569
_refine_ls_number_parameters     281
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1263
_refine_ls_R_factor_gt           0.0742
_refine_ls_wR_factor_ref         0.2533
_refine_ls_wR_factor_gt          0.2073
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_restrained_S_all      1.013
_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
S2 S 0.89713(13) 1.07727(16) 0.24887(2) 0.0389(3) Uani 1 1 d . A .
S1 S 0.9261(2) 0.8796(3) 0.18251(4) 0.0420(5) Uani 0.468(3) 1 d P A 1
S3 S 1.0903(2) 0.5116(3) 0.29552(4) 0.0413(5) Uani 0.468(3) 1 d P A 1
C2 C 1.0674(2) 0.5106(3) 0.20270(4) 0.0441(4) Uani 0.468(3) 1 d P A 1
C7 C 0.9589(2) 0.8824(3) 0.31563(4) 0.0438(4) Uani 0.468(3) 1 d P A 1
C2' C 0.9261(2) 0.8796(3) 0.18251(4) 0.0420(5) Uani 0.53 1 d P A 2
C7' C 1.0903(2) 0.5116(3) 0.29552(4) 0.0413(5) Uani 0.53 1 d P A 2
S1' S 1.0674(2) 0.5106(3) 0.20270(4) 0.0441(4) Uani 0.53 1 d P A 2
S3' S 0.9589(2) 0.8824(3) 0.31563(4) 0.0438(4) Uani 0.53 1 d P A 2
C1 C 0.9942(7) 0.6549(12) 0.17666(11) 0.089(2) Uani 1 1 d . . .
C3 C 1.0317(4) 0.6897(6) 0.23242(8) 0.0301(7) Uani 1 1 d . . .
C4 C 0.9547(5) 0.8870(6) 0.22036(8) 0.0336(8) Uani 1 1 d . A .
C5 C 1.0414(4) 0.6896(6) 0.26573(8) 0.0324(8) Uani 1 1 d . A .
C6 C 0.9701(5) 0.8887(6) 0.27770(8) 0.0338(8) Uani 1 1 d . . .
C8 C 1.0347(7) 0.6466(12) 0.32086(12) 0.088(2) Uani 1 1 d . . .
C9 C 1.0751(10) 0.4825(14) 0.34726(19) 0.0395(17) Uani 0.50 1 d P A .
C9' C 1.0034(12) 0.6332(16) 0.3579(2) 0.0445(19) Uani 0.50 1 d P A .
C10 C 1.0039(14) 0.5457(19) 0.3745(2) 0.040(2) Uani 0.50 1 d P . .
C10' C 1.0469(14) 0.4406(18) 0.3695(3) 0.044(2) Uani 0.50 1 d P A .
C11 C 1.0305(6) 0.3995(8) 0.40323(9) 0.0480(11) Uani 1 1 d . A .
C12 C 1.1112(6) 0.1928(9) 0.41027(11) 0.0616(13) Uani 1 1 d . . .
H12A H 1.1595 0.1093 0.3943 0.074 Uiso 1 1 calc R A .
C13 C 1.1211(7) 0.1094(8) 0.44024(12) 0.0615(12) Uani 1 1 d . A .
H13A H 1.1764 -0.0288 0.4444 0.074 Uiso 1 1 calc R . .
C14 C 1.0503(6) 0.2279(9) 0.46388(10) 0.0597(13) Uani 1 1 d . . .
H14A H 1.0583 0.1721 0.4842 0.072 Uiso 1 1 calc R A .
C15 C 0.9677(6) 0.4289(8) 0.45763(10) 0.0563(12) Uani 1 1 d . A .
H15A H 0.9188 0.5100 0.4738 0.068 Uiso 1 1 calc R . .
C16 C 0.9562(6) 0.5127(7) 0.42760(10) 0.0532(11) Uani 1 1 d . . .
H16A H 0.8971 0.6487 0.4237 0.064 Uiso 1 1 calc R A .
C17 C 0.9503(11) 0.6335(14) 0.1402(2) 0.0387(17) Uani 0.50 1 d P A .
C17' C 1.0287(12) 0.4765(15) 0.1502(2) 0.0462(19) Uani 0.50 1 d P A .
C18 C 0.9928(14) 0.4365(18) 0.1281(2) 0.039(2) Uani 0.50 1 d P . .
C18' C 0.9471(15) 0.5418(19) 0.1243(3) 0.044(2) Uani 0.50 1 d P A .
C19 C 0.9648(6) 0.4003(8) 0.09464(9) 0.0487(11) Uani 1 1 d . A .
C20 C 0.8841(6) 0.5185(8) 0.07010(10) 0.0527(11) Uani 1 1 d . . .
H20A H 0.8285 0.6552 0.0741 0.063 Uiso 1 1 calc R A .
C21 C 0.8833(6) 0.4404(8) 0.03978(10) 0.0563(12) Uani 1 1 d . A .
H21A H 0.8287 0.5244 0.0236 0.068 Uiso 1 1 calc R . .
C22 C 0.9635(7) 0.2376(9) 0.03350(10) 0.0604(13) Uani 1 1 d . . .
H22A H 0.9663 0.1855 0.0130 0.072 Uiso 1 1 calc R A .
C23 C 1.0387(7) 0.1135(8) 0.05744(12) 0.0599(12) Uani 1 1 d . A .
H23A H 1.0898 -0.0258 0.0533 0.072 Uiso 1 1 calc R . .
C24 C 1.0401(6) 0.1908(9) 0.08732(11) 0.0600(12) Uani 1 1 d . . .
H24A H 1.0922 0.1029 0.1033 0.072 Uiso 1 1 calc R A .


_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
S2 C4 1.730(4) . ?
S2 C6 1.732(4) . ?
S1 C1 1.451(7) . ?
S1 C4 1.624(4) . ?
S3 C8 1.425(7) . ?
S3 C5 1.681(4) . ?
S3 C9 2.228(8) . ?
C2 C1 1.487(7) . ?
C2 C3 1.687(4) . ?
C7 C8 1.520(7) . ?
C7 C6 1.630(4) . ?
C1 C17' 1.578(10) . ?
C1 C17 1.582(10) . ?
C3 C4 1.391(5) . ?
C3 C5 1.424(5) . ?
C5 C6 1.401(5) . ?
C8 C9 1.510(10) . ?
C8 C9' 1.616(11) . ?
C9 C10' 1.016(12) . ?
C9 C9' 1.147(11) . ?
C9 C10 1.356(13) . ?
C9' C10 0.877(11) . ?
C9' C10' 1.280(14) . ?
C10 C10' 0.737(10) . ?
C10 C11 1.510(12) . ?
C10' C11 1.474(12) . ?
C11 C16 1.378(6) . ?
C11 C12 1.391(6) . ?
C12 C13 1.373(6) . ?
C13 C14 1.359(6) . ?
C14 C15 1.361(7) . ?
C15 C16 1.376(6) . ?
C17 C18' 0.872(11) . ?
C17 C17' 1.169(11) . ?
C17 C18 1.321(13) . ?
C17' C18 0.998(12) . ?
C17' C18' 1.299(14) . ?
C18 C18' 0.726(10) . ?
C18 C19 1.454(11) . ?
C18' C19 1.531(12) . ?
C19 C20 1.376(6) . ?
C19 C24 1.405(6) . ?
C20 C21 1.377(6) . ?
C21 C22 1.375(7) . ?
C22 C23 1.360(6) . ?
C23 C24 1.357(6) . ?

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
C4 S2 C6 90.10(17) . . ?
C1 S1 C4 99.6(3) . . ?
C8 S3 C5 99.4(3) . . ?
C8 S3 C9 42.0(3) . . ?
C5 S3 C9 141.4(3) . . ?
C1 C2 C3 97.9(3) . . ?
C8 C7 C6 97.5(3) . . ?
S1 C1 C2 121.1(3) . . ?
S1 C1 C17' 144.0(6) . . ?
C2 C1 C17' 94.9(5) . . ?
S1 C1 C17 100.7(5) . . ?
C2 C1 C17 138.0(6) . . ?
C17' C1 C17 43.4(4) . . ?
C4 C3 C5 111.8(3) . . ?
C4 C3 C2 109.1(3) . . ?
C5 C3 C2 138.8(3) . . ?
C3 C4 S1 112.3(3) . . ?
C3 C4 S2 113.5(3) . . ?
S1 C4 S2 134.1(2) . . ?
C6 C5 C3 111.3(3) . . ?
C6 C5 S3 108.9(3) . . ?
C3 C5 S3 139.3(3) . . ?
C5 C6 C7 112.5(3) . . ?
C5 C6 S2 113.2(3) . . ?
C7 C6 S2 134.0(2) . . ?
S3 C8 C9 98.8(5) . . ?
S3 C8 C7 121.6(3) . . ?
C9 C8 C7 139.6(6) . . ?
S3 C8 C9' 141.3(6) . . ?
C9 C8 C9' 42.9(4) . . ?
C7 C8 C9' 96.8(6) . . ?
C10' C9 C9' 72.2(8) . . ?
C10' C9 C10 32.3(7) . . ?
C9' C9 C10 39.9(6) . . ?
C10' C9 C8 144.7(11) . . ?
C9' C9 C8 73.5(8) . . ?
C10 C9 C8 113.1(8) . . ?
C10' C9 S3 166.6(9) . . ?
C9' C9 S3 112.5(9) . . ?
C10 C9 S3 150.7(8) . . ?
C8 C9 S3 39.2(4) . . ?
C10 C9' C9 83.0(11) . . ?
C10 C9' C10' 33.8(9) . . ?
C9 C9' C10' 49.1(7) . . ?
C10 C9' C8 145.7(12) . . ?
C9 C9' C8 63.6(7) . . ?
C10' C9' C8 112.2(9) . . ?
C10' C10 C9' 104.6(19) . . ?
C10' C10 C9 47.5(13) . . ?
C9' C10 C9 57.1(9) . . ?
C10' C10 C11 73.0(15) . . ?
C9' C10 C11 172.7(13) . . ?
C9 C10 C11 120.0(10) . . ?
C10 C10' C9 100.1(17) . . ?
C10 C10' C9' 41.5(12) . . ?
C9 C10' C9' 58.6(8) . . ?
C10 C10' C11 78.5(15) . . ?
C9 C10' C11 171.3(11) . . ?
C9' C10' C11 119.7(11) . . ?
C16 C11 C12 116.8(4) . . ?
C16 C11 C10' 135.7(6) . . ?
C12 C11 C10' 107.5(6) . . ?
C16 C11 C10 107.2(6) . . ?
C12 C11 C10 136.0(6) . . ?
C10' C11 C10 28.6(4) . . ?
C13 C12 C11 121.5(4) . . ?
C14 C13 C12 120.3(5) . . ?
C13 C14 C15 119.6(4) . . ?
C14 C15 C16 120.4(4) . . ?
C15 C16 C11 121.4(4) . . ?
C18' C17 C17' 77.5(10) . . ?
C18' C17 C18 30.8(9) . . ?
C17' C17 C18 46.7(6) . . ?
C18' C17 C1 144.8(12) . . ?
C17' C17 C1 68.1(7) . . ?
C18 C17 C1 114.5(8) . . ?
C18 C17' C17 74.7(9) . . ?
C18 C17' C18' 33.7(7) . . ?
C17 C17' C18' 40.9(6) . . ?
C18 C17' C1 142.3(11) . . ?
C17 C17' C1 68.4(8) . . ?
C18' C17' C1 109.1(9) . . ?
C18' C18 C17' 96.5(17) . . ?
C18' C18 C17 37.9(13) . . ?
C17' C18 C17 58.6(8) . . ?
C18' C18 C19 81.9(16) . . ?
C17' C18 C19 170.8(11) . . ?
C17 C18 C19 119.4(10) . . ?
C18 C18' C17 111(2) . . ?
C18 C18' C17' 49.8(13) . . ?
C17 C18' C17' 61.5(10) . . ?
C18 C18' C19 70.1(15) . . ?
C17 C18' C19 171.7(13) . . ?
C17' C18' C19 119.3(10) . . ?
C20 C19 C24 116.4(4) . . ?
C20 C19 C18 135.6(6) . . ?
C24 C19 C18 108.0(6) . . ?
C20 C19 C18' 107.6(6) . . ?
C24 C19 C18' 136.0(6) . . ?
C18 C19 C18' 28.0(4) . . ?
C21 C20 C19 122.0(4) . . ?
C22 C21 C20 119.7(4) . . ?
C23 C22 C21 119.5(4) . . ?
C24 C23 C22 120.8(4) . . ?
C23 C24 C19 121.5(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
C4 S1 C1 C2 -1.5(4) . . . . ?
C4 S1 C1 C17' 179.3(7) . . . . ?
C4 S1 C1 C17 174.6(4) . . . . ?
C3 C2 C1 S1 1.4(4) . . . . ?
C3 C2 C1 C17' -179.0(4) . . . . ?
C3 C2 C1 C17 -173.0(6) . . . . ?
C1 C2 C3 C4 -0.6(3) . . . . ?
C1 C2 C3 C5 171.7(4) . . . . ?
C5 C3 C4 S1 -174.7(2) . . . . ?
C2 C3 C4 S1 -0.2(3) . . . . ?
C5 C3 C4 S2 1.2(4) . . . . ?
C2 C3 C4 S2 175.77(18) . . . . ?
C1 S1 C4 C3 0.9(3) . . . . ?
C1 S1 C4 S2 -173.9(3) . . . . ?
C6 S2 C4 C3 -1.8(3) . . . . ?
C6 S2 C4 S1 173.0(3) . . . . ?
C4 C3 C5 C6 0.2(4) . . . . ?
C2 C3 C5 C6 -172.0(3) . . . . ?
C4 C3 C5 S3 170.8(3) . . . . ?
C2 C3 C5 S3 -1.4(6) . . . . ?
C8 S3 C5 C6 0.2(3) . . . . ?
C9 S3 C5 C6 1.7(5) . . . . ?
C8 S3 C5 C3 -170.5(4) . . . . ?
C9 S3 C5 C3 -169.1(4) . . . . ?
C3 C5 C6 C7 173.7(2) . . . . ?
S3 C5 C6 C7 0.2(3) . . . . ?
C3 C5 C6 S2 -1.5(4) . . . . ?
S3 C5 C6 S2 -175.02(18) . . . . ?
C8 C7 C6 C5 -0.5(3) . . . . ?
C8 C7 C6 S2 173.4(3) . . . . ?
C4 S2 C6 C5 1.8(3) . . . . ?
C4 S2 C6 C7 -172.0(3) . . . . ?
C5 S3 C8 C9 178.7(4) . . . . ?
C5 S3 C8 C7 -0.6(4) . . . . ?
C9 S3 C8 C7 -179.3(6) . . . . ?
C5 S3 C8 C9' 171.6(7) . . . . ?
C9 S3 C8 C9' -7.1(6) . . . . ?
C6 C7 C8 S3 0.7(4) . . . . ?
C6 C7 C8 C9 -178.2(7) . . . . ?
C6 C7 C8 C9' -174.4(4) . . . . ?
S3 C8 C9 C10' -158.7(15) . . . . ?
C7 C8 C9 C10' 20.4(19) . . . . ?
C9' C8 C9 C10' 14.9(14) . . . . ?
S3 C8 C9 C9' -173.5(6) . . . . ?
C7 C8 C9 C9' 5.5(9) . . . . ?
S3 C8 C9 C10 -168.0(7) . . . . ?
C7 C8 C9 C10 11.1(11) . . . . ?
C9' C8 C9 C10 5.6(7) . . . . ?
C7 C8 C9 S3 179.1(8) . . . . ?
C9' C8 C9 S3 173.5(6) . . . . ?
C8 S3 C9 C10' 115(4) . . . . ?
C5 S3 C9 C10' 113(4) . . . . ?
C8 S3 C9 C9' 6.7(6) . . . . ?
C5 S3 C9 C9' 4.6(9) . . . . ?
C8 S3 C9 C10 23.1(14) . . . . ?
C5 S3 C9 C10 21.0(17) . . . . ?
C5 S3 C9 C8 -2.1(6) . . . . ?
C10' C9 C9' C10 1.0(12) . . . . ?
C8 C9 C9' C10 172.0(10) . . . . ?
S3 C9 C9' C10 167.6(9) . . . . ?
C10 C9 C9' C10' -1.0(12) . . . . ?
C8 C9 C9' C10' 171.0(9) . . . . ?
S3 C9 C9' C10' 166.6(9) . . . . ?
C10' C9 C9' C8 -171.0(8) . . . . ?
C10 C9 C9' C8 -172.0(10) . . . . ?
S3 C9 C9' C8 -4.4(4) . . . . ?
S3 C8 C9' C10 -4(2) . . . . ?
C9 C8 C9' C10 -14.1(18) . . . . ?
C7 C8 C9' C10 169.5(19) . . . . ?
S3 C8 C9' C9 10.3(9) . . . . ?
C7 C8 C9' C9 -176.4(6) . . . . ?
S3 C8 C9' C10' 3.0(12) . . . . ?
C9 C8 C9' C10' -7.3(7) . . . . ?
C7 C8 C9' C10' 176.3(7) . . . . ?
C9 C9' C10 C10' -1.3(16) . . . . ?
C8 C9' C10 C10' 11(3) . . . . ?
C10' C9' C10 C9 1.3(16) . . . . ?
C8 C9' C10 C9 12.7(16) . . . . ?
C9 C9' C10 C11 69(11) . . . . ?
C10' C9' C10 C11 70(10) . . . . ?
C8 C9' C10 C11 81(11) . . . . ?
C9' C9 C10 C10' 178(2) . . . . ?
C8 C9 C10 C10' 169.9(16) . . . . ?
S3 C9 C10 C10' 154.3(17) . . . . ?
C10' C9 C10 C9' -178(2) . . . . ?
C8 C9 C10 C9' -8.3(10) . . . . ?
S3 C9 C10 C9' -24.0(18) . . . . ?
C10' C9 C10 C11 9.6(12) . . . . ?
C9' C9 C10 C11 -172.1(15) . . . . ?
C8 C9 C10 C11 179.6(6) . . . . ?
S3 C9 C10 C11 163.9(9) . . . . ?
C9' C10 C10' C9 1.5(18) . . . . ?
C11 C10 C10' C9 -171.3(11) . . . . ?
C9 C10 C10' C9' -1.5(19) . . . . ?
C11 C10 C10' C9' -172.8(13) . . . . ?
C9' C10 C10' C11 172.8(13) . . . . ?
C9 C10 C10' C11 171.3(11) . . . . ?
C9' C9 C10' C10 -1.2(14) . . . . ?
C8 C9 C10' C10 -16(2) . . . . ?
S3 C9 C10' C10 -114(4) . . . . ?
C10 C9 C10' C9' 1.2(14) . . . . ?
C8 C9 C10' C9' -15.0(14) . . . . ?
S3 C9 C10' C9' -113(4) . . . . ?
C9' C9 C10' C11 -81(9) . . . . ?
C10 C9 C10' C11 -80(8) . . . . ?
C8 C9 C10' C11 -96(9) . . . . ?
S3 C9 C10' C11 166(5) . . . . ?
C9 C9' C10' C10 178(2) . . . . ?
C8 C9' C10' C10 -173.1(18) . . . . ?
C10 C9' C10' C9 -178(2) . . . . ?
C8 C9' C10' C9 8.7(8) . . . . ?
C10 C9' C10' C11 -8.1(14) . . . . ?
C9 C9' C10' C11 170.1(12) . . . . ?
C8 C9' C10' C11 178.8(6) . . . . ?
C10 C10' C11 C16 4.1(17) . . . . ?
C9 C10' C11 C16 86(9) . . . . ?
C9' C10' C11 C16 9.5(14) . . . . ?
C10 C10' C11 C12 -176.6(13) . . . . ?
C9 C10' C11 C12 -95(9) . . . . ?
C9' C10' C11 C12 -171.1(8) . . . . ?
C9 C10' C11 C10 82(8) . . . . ?
C9' C10' C11 C10 5.5(10) . . . . ?
C10' C10 C11 C16 -177.0(13) . . . . ?
C9' C10 C11 C16 111(11) . . . . ?
C9 C10 C11 C16 175.6(8) . . . . ?
C10' C10 C11 C12 4.7(17) . . . . ?
C9' C10 C11 C12 -67(11) . . . . ?
C9 C10 C11 C12 -2.7(13) . . . . ?
C9' C10 C11 C10' -72(10) . . . . ?
C9 C10 C11 C10' -7.4(9) . . . . ?
C16 C11 C12 C13 -1.9(7) . . . . ?
C10' C11 C12 C13 178.5(6) . . . . ?
C10 C11 C12 C13 176.2(7) . . . . ?
C11 C12 C13 C14 0.4(7) . . . . ?
C12 C13 C14 C15 0.7(8) . . . . ?
C13 C14 C15 C16 -0.3(7) . . . . ?
C14 C15 C16 C11 -1.3(7) . . . . ?
C12 C11 C16 C15 2.4(7) . . . . ?
C10' C11 C16 C15 -178.3(7) . . . . ?
C10 C11 C16 C15 -176.2(6) . . . . ?
S1 C1 C17 C18' -170.8(18) . . . . ?
C2 C1 C17 C18' 4(2) . . . . ?
C17' C1 C17 C18' 13.1(18) . . . . ?
S1 C1 C17 C17' 176.1(6) . . . . ?
C2 C1 C17 C17' -8.8(8) . . . . ?
S1 C1 C17 C18 -177.6(7) . . . . ?
C2 C1 C17 C18 -2.5(11) . . . . ?
C17' C1 C17 C18 6.3(7) . . . . ?
C18' C17 C17' C18 -0.2(12) . . . . ?
C1 C17 C17' C18 172.1(9) . . . . ?
C18 C17 C17' C18' 0.2(12) . . . . ?
C1 C17 C17' C18' 172.3(10) . . . . ?
C18' C17 C17' C1 -172.3(10) . . . . ?
C18 C17 C17' C1 -172.1(9) . . . . ?
S1 C1 C17' C18 -19(2) . . . . ?
C2 C1 C17' C18 161.5(15) . . . . ?
C17 C1 C17' C18 -12.6(14) . . . . ?
S1 C1 C17' C17 -6.6(10) . . . . ?
C2 C1 C17' C17 174.1(6) . . . . ?
S1 C1 C17' C18' -11.9(12) . . . . ?
C2 C1 C17' C18' 168.8(7) . . . . ?
C17 C1 C17' C18' -5.3(7) . . . . ?
C17 C17' C18 C18' 0.3(15) . . . . ?
C1 C17' C18 C18' 12(2) . . . . ?
C18' C17' C18 C17 -0.3(15) . . . . ?
C1 C17' C18 C17 12.1(13) . . . . ?
C17 C17' C18 C19 80(8) . . . . ?
C18' C17' C18 C19 79(8) . . . . ?
C1 C17' C18 C19 92(8) . . . . ?
C17' C17 C18 C18' -180(2) . . . . ?
C1 C17 C18 C18' 172(2) . . . . ?
C18' C17 C18 C17' 180(2) . . . . ?
C1 C17 C18 C17' -8.1(9) . . . . ?
C18' C17 C18 C19 10.0(17) . . . . ?
C17' C17 C18 C19 -169.6(12) . . . . ?
C1 C17 C18 C19 -177.7(6) . . . . ?
C17' C18 C18' C17 0(2) . . . . ?
C19 C18 C18' C17 -171.2(14) . . . . ?
C17 C18 C18' C17' 0(2) . . . . ?
C19 C18 C18' C17' -170.9(10) . . . . ?
C17' C18 C18' C19 170.9(10) . . . . ?
C17 C18 C18' C19 171.2(14) . . . . ?
C17' C17 C18' C18 0.3(18) . . . . ?
C1 C17 C18' C18 -12(3) . . . . ?
C18 C17 C18' C17' -0.3(18) . . . . ?
C1 C17 C18' C17' -12.5(17) . . . . ?
C17' C17 C18' C19 -98(10) . . . . ?
C18 C17 C18' C19 -98(10) . . . . ?
C1 C17 C18' C19 -110(9) . . . . ?
C17 C17' C18' C18 -180(2) . . . . ?
C1 C17' C18' C18 -172.0(16) . . . . ?
C18 C17' C18' C17 180(2) . . . . ?
C1 C17' C18' C17 7.6(10) . . . . ?
C18 C17' C18' C19 -9.9(12) . . . . ?
C17 C17' C18' C19 170.5(15) . . . . ?
C1 C17' C18' C19 178.1(7) . . . . ?
C18' C18 C19 C20 -1.6(18) . . . . ?
C17' C18 C19 C20 -82(8) . . . . ?
C17 C18 C19 C20 -7.8(13) . . . . ?
C18' C18 C19 C24 179.1(13) . . . . ?
C17' C18 C19 C24 99(8) . . . . ?
C17 C18 C19 C24 172.9(7) . . . . ?
C17' C18 C19 C18' -81(8) . . . . ?
C17 C18 C19 C18' -6.2(10) . . . . ?
C18 C18' C19 C20 178.8(13) . . . . ?
C17 C18' C19 C20 -80(10) . . . . ?
C17' C18' C19 C20 -173.2(8) . . . . ?
C18 C18' C19 C24 -1.3(18) . . . . ?
C17 C18' C19 C24 100(10) . . . . ?
C17' C18' C19 C24 6.7(14) . . . . ?
C17 C18' C19 C18 101(10) . . . . ?
C17' C18' C19 C18 8.0(9) . . . . ?
C24 C19 C20 C21 -2.5(7) . . . . ?
C18 C19 C20 C21 178.2(7) . . . . ?
C18' C19 C20 C21 177.4(6) . . . . ?
C19 C20 C21 C22 0.6(7) . . . . ?
C20 C21 C22 C23 1.7(7) . . . . ?
C21 C22 C23 C24 -2.0(7) . . . . ?
C22 C23 C24 C19 -0.1(7) . . . . ?
C20 C19 C24 C23 2.3(7) . . . . ?
C18 C19 C24 C23 -178.2(6) . . . . ?
C18' C19 C24 C23 -177.6(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.974
_diffrn_reflns_theta_full        28.30
_diffrn_measured_fraction_theta_full 0.974
_refine_diff_density_max         0.638
_refine_diff_density_min         -0.676
_refine_diff_density_rms         0.197
