data_pfff 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C24 H33 N O5 S' 
_chemical_formula_weight          447.57 
  
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            Monoclinic 
_symmetry_space_group_name_H-M    P2(1) 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y+1/2, -z' 
  
_cell_length_a                    8.2347(16) 
_cell_length_b                    15.600(3) 
_cell_length_c                    9.5307(19) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  96.28(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      1216.9(4) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     3052 
_cell_measurement_theta_min       2.6 
_cell_measurement_theta_max       23.5 
  
_exptl_crystal_description        Parallelepiped 
_exptl_crystal_colour             Colorless 
_exptl_crystal_size_max           0.23 
_exptl_crystal_size_mid           0.17 
_exptl_crystal_size_min           0.14 
_exptl_crystal_density_meas       0 
_exptl_crystal_density_diffrn     1.221 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              480 
_exptl_absorpt_coefficient_mu     0.166 
_exptl_absorpt_correction_type    Empirical 
_exptl_absorpt_correction_T_min   0.9628 
_exptl_absorpt_correction_T_max   0.9771 
_exptl_absorpt_process_details    'SADABS (Sheldrick, 1999)' 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'normal-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_%         <1% 
_diffrn_reflns_number             9019 
_diffrn_reflns_av_R_equivalents   0.0354 
_diffrn_reflns_av_sigmaI/netI     0.0640 
_diffrn_reflns_limit_h_min        -9 
_diffrn_reflns_limit_h_max        9 
_diffrn_reflns_limit_k_min        -18 
_diffrn_reflns_limit_k_max        18 
_diffrn_reflns_limit_l_min        -11 
_diffrn_reflns_limit_l_max        11 
_diffrn_reflns_theta_min          2.15 
_diffrn_reflns_theta_max          25.00 
_reflns_number_total              4218 
_reflns_number_gt                 3242 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        'Bruker SMART' 
_computing_cell_refinement        'Bruker SAINT+' 
_computing_data_reduction         'Bruker SAINT+' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'Bruker SHELXTL' 
_computing_publication_material   'Bruker SHELXTL' 
  
_refine_special_details 
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ 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/[\s^2^(Fo^2^)+(0.0600P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     riding 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    0.04(13) 
_refine_ls_number_reflns          4218 
_refine_ls_number_parameters      284 
_refine_ls_number_restraints      1 
_refine_ls_R_factor_all           0.1033 
_refine_ls_R_factor_gt            0.0804 
_refine_ls_wR_factor_ref          0.1541 
_refine_ls_wR_factor_gt           0.1445 
_refine_ls_goodness_of_fit_ref    1.178 
_refine_ls_restrained_S_all       1.178 
_refine_ls_shift/su_max           0.021 
_refine_ls_shift/su_mean          0.004 
  
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 
S1 S 0.46213(15) 0.73064(8) 0.30110(13) 0.0548(4) Uani 1 1 d . . . 
O1 O 0.4822(5) 0.6495(2) 0.3653(4) 0.0810(13) Uani 1 1 d . . . 
O2 O 0.3296(4) 0.7477(3) 0.1977(4) 0.0743(12) Uani 1 1 d . . . 
O3 O 0.5359(6) 0.9506(3) 0.8586(5) 0.0883(13) Uani 1 1 d . . . 
O4 O 0.3044(5) 0.9708(2) 0.7182(4) 0.0636(10) Uani 1 1 d . . . 
O5 O 0.4310(4) 0.77944(19) 0.6730(3) 0.0525(8) Uani 1 1 d . . . 
N1 N 0.4479(5) 0.7996(2) 0.4291(4) 0.0491(10) Uani 1 1 d . . . 
C1 C 0.3960(6) 0.8834(3) 0.3949(5) 0.0580(14) Uani 1 1 d . . . 
H1A H 0.3316 0.8925 0.3098 0.070 Uiso 1 1 calc R . . 
C2 C 0.4340(6) 0.9496(3) 0.4772(6) 0.0599(14) Uani 1 1 d . . . 
H2A H 0.3888 1.0026 0.4508 0.072 Uiso 1 1 calc R . . 
C3 C 0.5444(6) 0.9441(3) 0.6091(5) 0.0566(13) Uani 1 1 d . . . 
H3A H 0.6213 0.9918 0.6067 0.068 Uiso 1 1 calc R . . 
C4 C 0.6467(6) 0.8624(3) 0.6092(6) 0.0598(14) Uani 1 1 d . . . 
H4A H 0.7267 0.8681 0.5423 0.072 Uiso 1 1 calc R . . 
H4B H 0.7047 0.8535 0.7022 0.072 Uiso 1 1 calc R . . 
C5 C 0.5363(6) 0.7861(3) 0.5692(5) 0.0487(12) Uani 1 1 d . . . 
H5A H 0.6025 0.7339 0.5685 0.058 Uiso 1 1 calc R . . 
C6 C 0.4636(8) 0.9554(3) 0.7426(6) 0.0589(14) Uani 1 1 d . . . 
C7 C 0.2168(8) 0.9817(4) 0.8391(7) 0.087(2) Uani 1 1 d . . . 
H7A H 0.2529 1.0332 0.8902 0.104 Uiso 1 1 calc R . . 
H7B H 0.2353 0.9330 0.9023 0.104 Uiso 1 1 calc R . . 
C8 C 0.0372(9) 0.9885(6) 0.7846(8) 0.107(2) Uani 1 1 d . . . 
H8A H -0.0262 0.9943 0.8628 0.128 Uiso 1 1 calc R . . 
H8B H 0.0039 0.9378 0.7321 0.128 Uiso 1 1 calc R . . 
H8C H 0.0203 1.0377 0.7244 0.128 Uiso 1 1 calc R . . 
C9 C 0.3333(6) 0.7026(3) 0.6735(5) 0.0479(12) Uani 1 1 d . . . 
H9A H 0.3916 0.6568 0.6297 0.058 Uiso 1 1 calc R . . 
C10 C 0.1668(6) 0.7134(4) 0.5875(5) 0.0733(17) Uani 1 1 d . . . 
H10A H 0.1475 0.7740 0.5697 0.088 Uiso 1 1 calc R . . 
H10B H 0.1693 0.6853 0.4970 0.088 Uiso 1 1 calc R . . 
C11 C 0.0264(7) 0.6774(5) 0.6586(6) 0.0766(18) Uani 1 1 d . . . 
H11A H -0.0810 0.6799 0.6032 0.092 Uiso 1 1 calc R . . 
C12 C 0.0695(6) 0.5915(4) 0.7341(6) 0.0637(15) Uani 1 1 d . . . 
C13 C 0.1568(7) 0.6474(3) 0.8530(5) 0.0598(14) Uani 1 1 d . . . 
H13A H 0.1489 0.6257 0.9485 0.072 Uiso 1 1 calc R . . 
C14 C 0.3256(6) 0.6786(3) 0.8277(5) 0.0534(13) Uani 1 1 d . . . 
H14A H 0.3430 0.7320 0.8813 0.064 Uiso 1 1 calc R . . 
C15 C 0.0370(7) 0.7180(5) 0.8070(7) 0.0877(19) Uani 1 1 d . . . 
H15A H 0.0837 0.7752 0.8127 0.105 Uiso 1 1 calc R . . 
H15B H -0.0641 0.7157 0.8505 0.105 Uiso 1 1 calc R . . 
C16 C 0.4610(7) 0.6195(5) 0.8845(7) 0.093(2) Uani 1 1 d . . . 
H16A H 0.4436 0.6015 0.9780 0.111 Uiso 1 1 calc R . . 
H16B H 0.5637 0.6489 0.8874 0.111 Uiso 1 1 calc R . . 
H16C H 0.4623 0.5702 0.8243 0.111 Uiso 1 1 calc R . . 
C17 C 0.1601(9) 0.5258(4) 0.6557(7) 0.100(2) Uani 1 1 d . . . 
H17A H 0.0900 0.5051 0.5758 0.120 Uiso 1 1 calc R . . 
H17B H 0.1926 0.4788 0.7176 0.120 Uiso 1 1 calc R . . 
H17C H 0.2553 0.5517 0.6240 0.120 Uiso 1 1 calc R . . 
C18 C -0.0800(8) 0.5475(6) 0.7821(8) 0.110(2) Uani 1 1 d . . . 
H18A H -0.1357 0.5864 0.8384 0.131 Uiso 1 1 calc R . . 
H18B H -0.0462 0.4978 0.8372 0.131 Uiso 1 1 calc R . . 
H18C H -0.1523 0.5304 0.7010 0.131 Uiso 1 1 calc R . . 
C19 C 0.6434(5) 0.7560(3) 0.2287(5) 0.0481(13) Uani 1 1 d . . . 
C20 C 0.7869(6) 0.7169(4) 0.2762(5) 0.0719(17) Uani 1 1 d . . . 
H20A H 0.7882 0.6736 0.3435 0.086 Uiso 1 1 calc R . . 
C21 C 0.9282(6) 0.7408(5) 0.2256(6) 0.0829(19) Uani 1 1 d . . . 
H21A H 1.0266 0.7162 0.2626 0.100 Uiso 1 1 calc R . . 
C22 C 0.9266(7) 0.7996(5) 0.1228(6) 0.0786(18) Uani 1 1 d . . . 
H21A H 1.0233 0.8143 0.0868 0.094 Uiso 1 1 calc R . . 
C23 C 0.7838(7) 0.8379(4) 0.0708(6) 0.0778(17) Uani 1 1 d . . . 
H23A H 0.7831 0.8784 -0.0009 0.093 Uiso 1 1 calc R . . 
C24 C 0.6410(7) 0.8166(4) 0.1243(5) 0.0637(15) Uani 1 1 d . . . 
H24A H 0.5435 0.8431 0.0900 0.076 Uiso 1 1 calc R . . 
  
loop_ 
 _atom_site_aniso_label 
 _atom_site_aniso_U_11 
 _atom_site_aniso_U_22 
 _atom_site_aniso_U_33 
 _atom_site_aniso_U_23 
 _atom_site_aniso_U_13 
 _atom_site_aniso_U_12 
S1 0.0512(7) 0.0569(8) 0.0595(8) -0.0130(7) 0.0202(6) -0.0068(7) 
O1 0.113(3) 0.050(2) 0.089(3) -0.002(2) 0.053(3) -0.012(2) 
O2 0.0433(19) 0.103(3) 0.077(2) -0.030(2) 0.0072(19) -0.004(2) 
O3 0.100(3) 0.095(3) 0.066(3) -0.006(2) -0.010(2) 0.006(3) 
O4 0.068(3) 0.062(2) 0.060(2) -0.0053(18) 0.005(2) -0.005(2) 
O5 0.067(2) 0.0396(18) 0.052(2) 0.0034(15) 0.0118(17) -0.0084(16) 
N1 0.050(2) 0.050(2) 0.050(2) 0.0083(19) 0.020(2) 0.0084(19) 
C1 0.072(4) 0.059(3) 0.046(3) 0.010(3) 0.020(3) 0.023(3) 
C2 0.070(4) 0.049(3) 0.063(3) 0.007(3) 0.020(3) 0.023(3) 
C3 0.068(3) 0.045(3) 0.058(3) 0.006(3) 0.013(3) -0.015(3) 
C4 0.055(3) 0.060(3) 0.066(3) 0.013(3) 0.010(3) 0.001(3) 
C5 0.050(3) 0.035(3) 0.064(3) 0.008(2) 0.021(3) 0.008(2) 
C6 0.078(4) 0.039(3) 0.057(4) -0.001(3) -0.006(3) -0.009(3) 
C7 0.104(5) 0.084(5) 0.077(5) -0.013(4) 0.028(4) -0.006(4) 
C8 0.088(5) 0.115(6) 0.127(6) -0.019(5) 0.052(5) -0.013(4) 
C9 0.056(3) 0.042(3) 0.046(3) 0.004(2) 0.007(2) -0.003(2) 
C10 0.066(3) 0.096(5) 0.057(3) 0.017(3) 0.004(3) 0.002(3) 
C11 0.051(3) 0.120(5) 0.055(4) 0.008(3) -0.007(3) 0.008(3) 
C12 0.062(4) 0.069(4) 0.062(3) -0.005(3) 0.014(3) -0.015(3) 
C13 0.065(4) 0.073(4) 0.044(3) 0.000(3) 0.016(3) -0.008(3) 
C14 0.068(3) 0.053(3) 0.037(3) 0.005(2) -0.003(2) -0.014(3) 
C15 0.078(4) 0.093(5) 0.099(5) -0.007(4) 0.042(4) 0.004(4) 
C16 0.075(4) 0.112(5) 0.087(5) 0.046(4) -0.010(4) -0.008(4) 
C17 0.129(6) 0.077(5) 0.100(5) -0.031(4) 0.036(5) -0.040(4) 
C18 0.090(5) 0.129(6) 0.111(6) -0.003(5) 0.018(4) -0.046(5) 
C19 0.041(3) 0.061(3) 0.043(3) -0.007(2) 0.009(2) 0.002(2) 
C20 0.062(3) 0.102(5) 0.052(3) 0.015(3) 0.008(3) 0.024(3) 
C21 0.040(3) 0.143(6) 0.066(3) 0.007(4) 0.010(3) 0.027(4) 
C22 0.049(4) 0.130(6) 0.059(4) -0.010(4) 0.016(3) 0.003(4) 
C23 0.066(4) 0.099(5) 0.071(4) 0.016(4) 0.023(3) -0.006(4) 
C24 0.049(3) 0.086(4) 0.055(3) 0.003(3) 0.000(3) 0.009(3) 
  
_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 O1 1.407(4) . ? 
S1 O2 1.413(4) . ? 
S1 N1 1.640(4) . ? 
S1 C19 1.757(5) . ? 
O3 C6 1.200(6) . ? 
O4 C6 1.328(7) . ? 
O4 C7 1.435(7) . ? 
O5 C5 1.389(5) . ? 
O5 C9 1.444(5) . ? 
N1 C1 1.403(6) . ? 
N1 C5 1.464(6) . ? 
C1 C2 1.314(7) . ? 
C2 C3 1.471(7) . ? 
C3 C6 1.510(7) . ? 
C3 C4 1.527(7) . ? 
C4 C5 1.522(6) . ? 
C7 C8 1.517(9) . ? 
C9 C14 1.524(6) . ? 
C9 C10 1.527(7) . ? 
C10 C11 1.510(7) . ? 
C11 C15 1.544(8) . ? 
C11 C12 1.544(9) . ? 
C12 C17 1.513(8) . ? 
C12 C18 1.523(8) . ? 
C12 C13 1.544(7) . ? 
C13 C15 1.512(8) . ? 
C13 C14 1.518(7) . ? 
C14 C16 1.502(8) . ? 
C19 C20 1.363(7) . ? 
C19 C24 1.371(7) . ? 
C20 C21 1.359(8) . ? 
C21 C22 1.341(9) . ? 
C22 C23 1.363(8) . ? 
C23 C24 1.372(7) . ? 
  
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 
O1 S1 O2 121.1(3) . . ? 
O1 S1 N1 106.3(2) . . ? 
O2 S1 N1 106.4(2) . . ? 
O1 S1 C19 108.0(2) . . ? 
O2 S1 C19 107.9(2) . . ? 
N1 S1 C19 106.1(2) . . ? 
C6 O4 C7 117.0(5) . . ? 
C5 O5 C9 117.1(3) . . ? 
C1 N1 C5 117.1(4) . . ? 
C1 N1 S1 118.9(3) . . ? 
C5 N1 S1 121.0(3) . . ? 
C2 C1 N1 123.2(5) . . ? 
C1 C2 C3 123.3(5) . . ? 
C2 C3 C6 115.2(4) . . ? 
C2 C3 C4 109.8(4) . . ? 
C6 C3 C4 113.0(4) . . ? 
C5 C4 C3 109.8(4) . . ? 
O5 C5 N1 111.9(3) . . ? 
O5 C5 C4 106.4(4) . . ? 
N1 C5 C4 109.9(4) . . ? 
O3 C6 O4 123.7(6) . . ? 
O3 C6 C3 123.3(6) . . ? 
O4 C6 C3 113.0(5) . . ? 
O4 C7 C8 106.8(5) . . ? 
O5 C9 C14 106.8(4) . . ? 
O5 C9 C10 112.0(4) . . ? 
C14 C9 C10 114.5(4) . . ? 
C11 C10 C9 113.8(4) . . ? 
C10 C11 C15 106.8(5) . . ? 
C10 C11 C12 112.6(5) . . ? 
C15 C11 C12 86.7(4) . . ? 
C17 C12 C18 107.5(6) . . ? 
C17 C12 C13 122.0(5) . . ? 
C18 C12 C13 111.1(5) . . ? 
C17 C12 C11 117.3(5) . . ? 
C18 C12 C11 112.3(5) . . ? 
C13 C12 C11 85.2(4) . . ? 
C15 C13 C14 107.5(4) . . ? 
C15 C13 C12 87.8(4) . . ? 
C14 C13 C12 115.2(4) . . ? 
C16 C14 C13 113.7(4) . . ? 
C16 C14 C9 113.0(5) . . ? 
C13 C14 C9 111.6(4) . . ? 
C13 C15 C11 86.3(5) . . ? 
C20 C19 C24 119.5(5) . . ? 
C20 C19 S1 120.8(4) . . ? 
C24 C19 S1 119.7(4) . . ? 
C21 C20 C19 120.2(5) . . ? 
C22 C21 C20 120.4(5) . . ? 
C21 C22 C23 120.3(6) . . ? 
C22 C23 C24 119.9(6) . . ? 
C19 C24 C23 119.5(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 
O1 S1 N1 C1 -167.9(4) . . . . ? 
O2 S1 N1 C1 -37.5(4) . . . . ? 
C19 S1 N1 C1 77.3(4) . . . . ? 
O1 S1 N1 C5 32.6(4) . . . . ? 
O2 S1 N1 C5 163.0(3) . . . . ? 
C19 S1 N1 C5 -82.2(4) . . . . ? 
C5 N1 C1 C2 5.5(7) . . . . ? 
S1 N1 C1 C2 -154.9(4) . . . . ? 
N1 C1 C2 C3 4.5(8) . . . . ? 
C1 C2 C3 C6 -110.4(6) . . . . ? 
C1 C2 C3 C4 18.5(7) . . . . ? 
C2 C3 C4 C5 -49.1(5) . . . . ? 
C6 C3 C4 C5 81.0(5) . . . . ? 
C9 O5 C5 N1 71.0(5) . . . . ? 
C9 O5 C5 C4 -169.0(4) . . . . ? 
C1 N1 C5 O5 80.7(5) . . . . ? 
S1 N1 C5 O5 -119.3(4) . . . . ? 
C1 N1 C5 C4 -37.2(5) . . . . ? 
S1 N1 C5 C4 122.7(4) . . . . ? 
C3 C4 C5 O5 -62.3(5) . . . . ? 
C3 C4 C5 N1 59.1(5) . . . . ? 
C7 O4 C6 O3 -0.2(8) . . . . ? 
C7 O4 C6 C3 179.4(5) . . . . ? 
C2 C3 C6 O3 178.1(5) . . . . ? 
C4 C3 C6 O3 50.7(7) . . . . ? 
C2 C3 C6 O4 -1.5(6) . . . . ? 
C4 C3 C6 O4 -128.9(5) . . . . ? 
C6 O4 C7 C8 -173.9(5) . . . . ? 
C5 O5 C9 C14 141.6(4) . . . . ? 
C5 O5 C9 C10 -92.3(5) . . . . ? 
O5 C9 C10 C11 -136.3(5) . . . . ? 
C14 C9 C10 C11 -14.5(7) . . . . ? 
C9 C10 C11 C15 53.5(7) . . . . ? 
C9 C10 C11 C12 -39.9(7) . . . . ? 
C10 C11 C12 C17 -44.2(7) . . . . ? 
C15 C11 C12 C17 -151.0(5) . . . . ? 
C10 C11 C12 C18 -169.5(5) . . . . ? 
C15 C11 C12 C18 83.7(6) . . . . ? 
C10 C11 C12 C13 79.6(5) . . . . ? 
C15 C11 C12 C13 -27.2(4) . . . . ? 
C17 C12 C13 C15 147.2(6) . . . . ? 
C18 C12 C13 C15 -84.2(6) . . . . ? 
C11 C12 C13 C15 27.8(4) . . . . ? 
C17 C12 C13 C14 38.9(8) . . . . ? 
C18 C12 C13 C14 167.5(5) . . . . ? 
C11 C12 C13 C14 -80.4(5) . . . . ? 
C15 C13 C14 C16 173.1(5) . . . . ? 
C12 C13 C14 C16 -91.0(6) . . . . ? 
C15 C13 C14 C9 -57.6(6) . . . . ? 
C12 C13 C14 C9 38.3(6) . . . . ? 
O5 C9 C14 C16 -90.4(5) . . . . ? 
C10 C9 C14 C16 145.0(5) . . . . ? 
O5 C9 C14 C13 140.0(4) . . . . ? 
C10 C9 C14 C13 15.4(6) . . . . ? 
C14 C13 C15 C11 87.9(5) . . . . ? 
C12 C13 C15 C11 -27.8(4) . . . . ? 
C10 C11 C15 C13 -84.8(5) . . . . ? 
C12 C11 C15 C13 27.8(4) . . . . ? 
O1 S1 C19 C20 -21.2(5) . . . . ? 
O2 S1 C19 C20 -153.8(4) . . . . ? 
N1 S1 C19 C20 92.4(5) . . . . ? 
O1 S1 C19 C24 159.5(4) . . . . ? 
O2 S1 C19 C24 26.9(5) . . . . ? 
N1 S1 C19 C24 -86.8(4) . . . . ? 
C24 C19 C20 C21 3.3(8) . . . . ? 
S1 C19 C20 C21 -175.9(5) . . . . ? 
C19 C20 C21 C22 -3.8(10) . . . . ? 
C20 C21 C22 C23 2.0(10) . . . . ? 
C21 C22 C23 C24 0.3(9) . . . . ? 
C20 C19 C24 C23 -1.0(8) . . . . ? 
S1 C19 C24 C23 178.2(4) . . . . ? 
C22 C23 C24 C19 -0.8(9) . . . . ? 
  
_diffrn_measured_fraction_theta_max    1.000 
_diffrn_reflns_theta_full              25.00 
_diffrn_measured_fraction_theta_full   1.000 
_refine_diff_density_max    0.313 
_refine_diff_density_min   -0.169 
_refine_diff_density_rms    0.054