data_190816f 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C26 H20 F2 N2 O S' 
_chemical_formula_weight          446.50 
  
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' 
 'F'  'F'   0.0171   0.0103 
 '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                    8.6140(7) 
_cell_length_b                    27.034(2) 
_cell_length_c                    9.3247(8) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  97.680(2) 
_cell_angle_gamma                 90.00 
_cell_volume                      2151.9(3) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     298(2) 
_cell_measurement_reflns_used     2408 
_cell_measurement_theta_min       2.329 
_cell_measurement_theta_max       21.88 
  
_exptl_crystal_description        solid
_exptl_crystal_colour             white
_exptl_crystal_size_max           0.45 
_exptl_crystal_size_mid           0.37 
_exptl_crystal_size_min           0.11 
_exptl_crystal_density_meas       lock
_exptl_crystal_density_diffrn     1.378 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              928 
_exptl_absorpt_coefficient_mu     0.189 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.9197 
_exptl_absorpt_correction_T_max   0.9795 
_exptl_absorpt_process_details    sadabs 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       298(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             10655 
_diffrn_reflns_av_R_equivalents   0.0495 
_diffrn_reflns_av_sigmaI/netI     0.0631 
_diffrn_reflns_limit_h_min        -10 
_diffrn_reflns_limit_h_max        9 
_diffrn_reflns_limit_k_min        -28 
_diffrn_reflns_limit_k_max        32 
_diffrn_reflns_limit_l_min        -11 
_diffrn_reflns_limit_l_max        11 
_diffrn_reflns_theta_min          2.33 
_diffrn_reflns_theta_max          25.02 
_reflns_number_total              3772 
_reflns_number_gt                 2330 
_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 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^)+(0.0531P)^2^+0.8527P] 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     mixed 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          3772 
_refine_ls_number_parameters      299 
_refine_ls_number_restraints      4 
_refine_ls_R_factor_all           0.1003 
_refine_ls_R_factor_gt            0.0553 
_refine_ls_wR_factor_ref          0.1442 
_refine_ls_wR_factor_gt           0.1267 
_refine_ls_goodness_of_fit_ref    1.068 
_refine_ls_restrained_S_all       1.085 
_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 
F1 F 0.4739(5) 0.0772(2) 0.9637(6) 0.0728(13) Uani 0.719(3) 1 d P A 1 
F2 F 0.2923(4) 0.02614(12) 0.8799(4) 0.0654(9) Uani 0.719(3) 1 d P A 1 
F1' F 0.4068(14) 0.0754(7) 0.9867(17) 0.0728(13) Uani 0.281(3) 1 d P A 2 
F2' F 0.3516(11) 0.0180(4) 0.8180(11) 0.0654(9) Uani 0.281(3) 1 d P A 2 
N1 N 0.5057(3) 0.08847(9) 0.4849(3) 0.0487(7) Uani 1 1 d . . . 
N2 N 0.0099(4) 0.24017(13) 0.4188(4) 0.0825(11) Uani 1 1 d . . . 
O1 O 1.0495(3) -0.03055(8) 0.6474(3) 0.0576(7) Uani 1 1 d . . . 
S1 S 0.69707(10) 0.15184(3) 0.61856(11) 0.0563(3) Uani 1 1 d . . . 
C1 C 0.6079(4) 0.09383(12) 0.5983(4) 0.0467(9) Uani 1 1 d . A . 
C2 C 0.4859(4) 0.13257(11) 0.4079(3) 0.0407(8) Uani 1 1 d . . . 
C3 C 0.5798(3) 0.17138(11) 0.4655(3) 0.0392(8) Uani 1 1 d . . . 
C4 C 0.5661(4) 0.21824(12) 0.4040(4) 0.0529(9) Uani 1 1 d . . . 
H4 H 0.6302 0.2440 0.4423 0.063 Uiso 1 1 calc R . . 
C5 C 0.4559(5) 0.22561(14) 0.2856(4) 0.0594(10) Uani 1 1 d . . . 
H5 H 0.4431 0.2570 0.2446 0.071 Uiso 1 1 calc R . . 
C6 C 0.3640(4) 0.18707(15) 0.2267(4) 0.0649(11) Uani 1 1 d . . . 
H6 H 0.2917 0.1926 0.1450 0.078 Uiso 1 1 calc R . . 
C7 C 0.3770(4) 0.14083(14) 0.2862(4) 0.0581(10) Uani 1 1 d . . . 
H7 H 0.3139 0.1152 0.2457 0.070 Uiso 1 1 calc R . . 
C8 C 0.6502(4) 0.05469(13) 0.7118(4) 0.0616(11) Uani 1 1 d D . . 
H8 H 0.6929 0.0738 0.7973 0.074 Uiso 0.719(3) 1 calc PR A 1 
H8' H 0.5713 0.0309 0.6691 0.074 Uiso 0.281(3) 1 d PR A 2 
C9 C 0.7863(4) 0.02488(12) 0.6799(4) 0.0509(9) Uani 1 1 d . A . 
H9A H 0.8688 0.0475 0.6618 0.061 Uiso 1 1 calc R . . 
H9B H 0.7550 0.0068 0.5910 0.061 Uiso 1 1 calc R . . 
C10 C 0.8544(4) -0.01137(12) 0.7929(4) 0.0489(9) Uani 1 1 d . . . 
H10A H 0.8888 0.0066 0.8815 0.059 Uiso 1 1 calc R A . 
H10B H 0.7724 -0.0340 0.8125 0.059 Uiso 1 1 calc R . . 
C11 C 0.9894(3) -0.04106(11) 0.7535(3) 0.0365(7) Uani 1 1 d . A . 
C12 C 1.0488(3) -0.08416(10) 0.8447(3) 0.0341(7) Uani 1 1 d . . . 
C13 C 1.1778(4) -0.10945(12) 0.8089(4) 0.0489(9) Uani 1 1 d . A . 
H13 H 1.2278 -0.0984 0.7324 0.059 Uiso 1 1 calc R . . 
C14 C 1.2330(4) -0.15101(13) 0.8861(4) 0.0562(10) Uani 1 1 d . . . 
H14 H 1.3197 -0.1678 0.8613 0.067 Uiso 1 1 calc R A . 
C15 C 1.1599(4) -0.16739(12) 0.9989(4) 0.0534(9) Uani 1 1 d . A . 
H15 H 1.1964 -0.1956 1.0499 0.064 Uiso 1 1 calc R . . 
C16 C 1.0331(4) -0.14238(12) 1.0368(4) 0.0536(9) Uani 1 1 d . . . 
H16 H 0.9846 -0.1533 1.1143 0.064 Uiso 1 1 calc R A . 
C17 C 0.9777(3) -0.10106(11) 0.9602(3) 0.0425(8) Uani 1 1 d . A . 
H17 H 0.8915 -0.0843 0.9863 0.051 Uiso 1 1 calc R . . 
C18 C 0.5110(5) 0.02954(16) 0.7589(5) 0.0452(11) Uani 0.719(3) 1 d PD A 1 
H18A H 0.5483 0.0021 0.8213 0.054 Uiso 0.719(3) 1 calc PR A 1 
H18B H 0.4492 0.0157 0.6738 0.054 Uiso 0.719(3) 1 calc PR A 1 
C18' C 0.5845(9) 0.0606(4) 0.8432(10) 0.0452(11) Uani 0.281(3) 1 d PD A 2 
H18C H 0.6237 0.0915 0.8869 0.054 Uiso 0.281(3) 1 calc PR A 2 
H18D H 0.6255 0.0343 0.9082 0.054 Uiso 0.281(3) 1 calc PR A 2 
C19 C 0.4033(4) 0.06078(13) 0.8381(4) 0.0485(9) Uani 1 1 d D . . 
C20 C 0.3121(3) 0.10072(11) 0.7534(3) 0.0380(7) Uani 1 1 d . A . 
C21 C 0.3504(4) 0.15009(12) 0.7759(4) 0.0448(8) Uani 1 1 d . . . 
H21 H 0.4296 0.1589 0.8493 0.054 Uiso 1 1 calc R A . 
C22 C 0.2728(4) 0.18619(12) 0.6911(4) 0.0450(8) Uani 1 1 d . A . 
H22 H 0.2997 0.2193 0.7065 0.054 Uiso 1 1 calc R . . 
C23 C 0.1542(3) 0.17309(12) 0.5823(3) 0.0409(8) Uani 1 1 d . . . 
C24 C 0.1131(4) 0.12384(12) 0.5603(4) 0.0440(8) Uani 1 1 d . A . 
H24 H 0.0317 0.1152 0.4888 0.053 Uiso 1 1 calc R . . 
C25 C 0.1922(3) 0.08788(11) 0.6438(3) 0.0430(8) Uani 1 1 d . . . 
H25 H 0.1661 0.0548 0.6275 0.052 Uiso 1 1 calc R A . 
C26 C 0.0743(4) 0.21044(13) 0.4901(4) 0.0540(9) Uani 1 1 d . A . 
  
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 
F1 0.075(4) 0.0878(19) 0.052(2) 0.0011(17) -0.005(3) 0.034(3) 
F2 0.061(2) 0.0700(18) 0.071(2) 0.0291(18) 0.0291(14) 0.0082(15) 
F1' 0.075(4) 0.0878(19) 0.052(2) 0.0011(17) -0.005(3) 0.034(3) 
F2' 0.061(2) 0.0700(18) 0.071(2) 0.0291(18) 0.0291(14) 0.0082(15) 
N1 0.0503(17) 0.0355(16) 0.063(2) 0.0094(14) 0.0164(15) 0.0009(13) 
N2 0.091(3) 0.064(2) 0.086(3) 0.014(2) -0.011(2) 0.019(2) 
O1 0.0668(16) 0.0552(15) 0.0554(16) 0.0183(12) 0.0249(13) 0.0176(12) 
S1 0.0458(5) 0.0582(6) 0.0612(6) 0.0215(5) -0.0059(4) -0.0067(4) 
C1 0.0371(18) 0.043(2) 0.063(2) 0.0184(17) 0.0171(17) 0.0092(15) 
C2 0.0443(19) 0.0383(19) 0.042(2) 0.0047(15) 0.0130(15) 0.0037(15) 
C3 0.0374(17) 0.0380(18) 0.043(2) 0.0078(15) 0.0098(14) 0.0047(14) 
C4 0.063(2) 0.043(2) 0.052(2) 0.0065(17) 0.0070(19) -0.0009(17) 
C5 0.076(3) 0.047(2) 0.058(3) 0.0149(19) 0.016(2) 0.0197(19) 
C6 0.067(3) 0.073(3) 0.052(2) 0.016(2) -0.004(2) 0.015(2) 
C7 0.058(2) 0.063(3) 0.050(2) -0.0022(19) -0.0027(18) -0.0074(18) 
C8 0.046(2) 0.057(2) 0.085(3) 0.039(2) 0.0191(19) 0.0181(17) 
C9 0.051(2) 0.051(2) 0.051(2) 0.0111(17) 0.0104(17) 0.0175(17) 
C10 0.052(2) 0.0417(19) 0.055(2) 0.0132(16) 0.0149(17) 0.0147(15) 
C11 0.0388(17) 0.0341(18) 0.0370(19) -0.0008(14) 0.0067(15) 0.0010(13) 
C12 0.0326(16) 0.0305(16) 0.0387(18) 0.0001(14) 0.0026(13) 0.0003(13) 
C13 0.051(2) 0.052(2) 0.046(2) 0.0091(17) 0.0166(16) 0.0118(17) 
C14 0.055(2) 0.055(2) 0.061(3) 0.0054(19) 0.0139(19) 0.0249(18) 
C15 0.060(2) 0.042(2) 0.056(2) 0.0109(18) 0.0030(19) 0.0133(17) 
C16 0.053(2) 0.053(2) 0.056(2) 0.0173(18) 0.0125(18) 0.0099(17) 
C17 0.0379(18) 0.0400(19) 0.051(2) 0.0061(16) 0.0092(15) 0.0094(14) 
C18 0.045(3) 0.043(3) 0.049(3) 0.015(2) 0.011(2) 0.0099(19) 
C18' 0.045(3) 0.043(3) 0.049(3) 0.015(2) 0.011(2) 0.0099(19) 
C19 0.049(2) 0.051(2) 0.046(2) 0.0081(17) 0.0090(17) 0.0054(17) 
C20 0.0376(17) 0.0390(19) 0.0390(19) 0.0016(15) 0.0115(14) 0.0082(14) 
C21 0.0385(18) 0.048(2) 0.046(2) -0.0058(17) 0.0015(15) 0.0045(15) 
C22 0.0402(19) 0.0377(18) 0.056(2) -0.0047(16) 0.0032(16) -0.0004(14) 
C23 0.0371(18) 0.0396(19) 0.047(2) 0.0044(16) 0.0091(15) 0.0073(14) 
C24 0.0366(18) 0.049(2) 0.045(2) -0.0017(17) 0.0010(15) 0.0025(15) 
C25 0.0435(19) 0.0340(17) 0.053(2) -0.0028(16) 0.0133(16) 0.0015(15) 
C26 0.052(2) 0.047(2) 0.061(2) 0.0019(19) 0.0004(18) 0.0084(17) 
  
_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 
F1 C19 1.322(6) . ? 
F2 C19 1.430(5) . ? 
F1' C19 1.438(16) . ? 
F2' C19 1.245(10) . ? 
N1 C1 1.291(4) . ? 
N1 C2 1.390(4) . ? 
N2 C26 1.139(4) . ? 
O1 C11 1.210(4) . ? 
S1 C3 1.718(3) . ? 
S1 C1 1.745(3) . ? 
C1 C8 1.507(4) . ? 
C2 C3 1.388(4) . ? 
C2 C7 1.390(4) . ? 
C3 C4 1.389(4) . ? 
C4 C5 1.371(5) . ? 
C4 H4 0.9300 . ? 
C5 C6 1.378(5) . ? 
C5 H5 0.9300 . ? 
C6 C7 1.366(5) . ? 
C6 H6 0.9300 . ? 
C7 H7 0.9300 . ? 
C8 C18' 1.426(8) . ? 
C8 C9 1.485(4) . ? 
C8 C18 1.495(5) . ? 
C8 H8 0.9800 . ? 
C8 H8' 0.9800 . ? 
C9 C10 1.500(4) . ? 
C9 H9A 0.9700 . ? 
C9 H9B 0.9700 . ? 
C10 C11 1.499(4) . ? 
C10 H10A 0.9700 . ? 
C10 H10B 0.9700 . ? 
C11 C12 1.492(4) . ? 
C12 C13 1.383(4) . ? 
C12 C17 1.386(4) . ? 
C13 C14 1.384(4) . ? 
C13 H13 0.9300 . ? 
C14 C15 1.370(5) . ? 
C14 H14 0.9300 . ? 
C15 C16 1.370(5) . ? 
C15 H15 0.9300 . ? 
C16 C17 1.377(4) . ? 
C16 H16 0.9300 . ? 
C17 H17 0.9300 . ? 
C18 C19 1.517(5) . ? 
C18 H8' 1.0433 . ? 
C18 H18A 0.9700 . ? 
C18 H18B 0.9700 . ? 
C18' C19 1.555(8) . ? 
C18' H18C 0.9700 . ? 
C18' H18D 0.9700 . ? 
C19 C20 1.497(4) . ? 
C20 C21 1.384(4) . ? 
C20 C25 1.396(4) . ? 
C21 C22 1.372(4) . ? 
C21 H21 0.9300 . ? 
C22 C23 1.386(4) . ? 
C22 H22 0.9300 . ? 
C23 C24 1.386(4) . ? 
C23 C26 1.440(5) . ? 
C24 C25 1.369(4) . ? 
C24 H24 0.9300 . ? 
C25 H25 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 
C1 N1 C2 110.5(3) . . ? 
C3 S1 C1 89.12(15) . . ? 
N1 C1 C8 124.8(3) . . ? 
N1 C1 S1 115.6(2) . . ? 
C8 C1 S1 119.6(3) . . ? 
C3 C2 N1 115.1(3) . . ? 
C3 C2 C7 119.3(3) . . ? 
N1 C2 C7 125.6(3) . . ? 
C2 C3 C4 121.1(3) . . ? 
C2 C3 S1 109.7(2) . . ? 
C4 C3 S1 129.1(3) . . ? 
C5 C4 C3 118.4(3) . . ? 
C5 C4 H4 120.8 . . ? 
C3 C4 H4 120.8 . . ? 
C4 C5 C6 120.7(3) . . ? 
C4 C5 H5 119.7 . . ? 
C6 C5 H5 119.7 . . ? 
C7 C6 C5 121.3(3) . . ? 
C7 C6 H6 119.4 . . ? 
C5 C6 H6 119.4 . . ? 
C6 C7 C2 119.2(3) . . ? 
C6 C7 H7 120.4 . . ? 
C2 C7 H7 120.4 . . ? 
C18' C8 C9 130.4(5) . . ? 
C18' C8 C18 51.1(5) . . ? 
C9 C8 C18 119.9(3) . . ? 
C18' C8 C1 116.0(5) . . ? 
C9 C8 C1 111.3(3) . . ? 
C18 C8 C1 113.4(3) . . ? 
C18' C8 H8 52.4 . . ? 
C9 C8 H8 103.3 . . ? 
C18 C8 H8 103.3 . . ? 
C1 C8 H8 103.3 . . ? 
C18' C8 H8' 95.1 . . ? 
C9 C8 H8' 95.0 . . ? 
C18 C8 H8' 44.0 . . ? 
C1 C8 H8' 94.9 . . ? 
H8 C8 H8' 147.2 . . ? 
C8 C9 C10 117.3(3) . . ? 
C8 C9 H9A 108.0 . . ? 
C10 C9 H9A 108.0 . . ? 
C8 C9 H9B 108.0 . . ? 
C10 C9 H9B 108.0 . . ? 
H9A C9 H9B 107.2 . . ? 
C11 C10 C9 114.9(3) . . ? 
C11 C10 H10A 108.5 . . ? 
C9 C10 H10A 108.5 . . ? 
C11 C10 H10B 108.5 . . ? 
C9 C10 H10B 108.5 . . ? 
H10A C10 H10B 107.5 . . ? 
O1 C11 C12 119.9(3) . . ? 
O1 C11 C10 120.3(3) . . ? 
C12 C11 C10 119.8(3) . . ? 
C13 C12 C17 118.5(3) . . ? 
C13 C12 C11 118.3(3) . . ? 
C17 C12 C11 123.2(3) . . ? 
C12 C13 C14 120.5(3) . . ? 
C12 C13 H13 119.8 . . ? 
C14 C13 H13 119.8 . . ? 
C15 C14 C13 120.0(3) . . ? 
C15 C14 H14 120.0 . . ? 
C13 C14 H14 120.0 . . ? 
C14 C15 C16 120.2(3) . . ? 
C14 C15 H15 119.9 . . ? 
C16 C15 H15 119.9 . . ? 
C15 C16 C17 120.0(3) . . ? 
C15 C16 H16 120.0 . . ? 
C17 C16 H16 120.0 . . ? 
C16 C17 C12 120.8(3) . . ? 
C16 C17 H17 119.6 . . ? 
C12 C17 H17 119.6 . . ? 
C8 C18 C19 117.2(4) . . ? 
C8 C18 H8' 40.8 . . ? 
C19 C18 H8' 140.6 . . ? 
C8 C18 H18A 108.0 . . ? 
C19 C18 H18A 108.0 . . ? 
H8' C18 H18A 110.4 . . ? 
C8 C18 H18B 108.0 . . ? 
C19 C18 H18B 108.0 . . ? 
H8' C18 H18B 68.6 . . ? 
H18A C18 H18B 107.2 . . ? 
C8 C18' C19 119.1(7) . . ? 
C8 C18' H18C 107.5 . . ? 
C19 C18' H18C 107.5 . . ? 
C8 C18' H18D 107.5 . . ? 
C19 C18' H18D 107.5 . . ? 
H18C C18' H18D 107.0 . . ? 
F2' C19 F1 123.9(6) . . ? 
F2' C19 F2 36.2(4) . . ? 
F1 C19 F2 102.9(3) . . ? 
F2' C19 F1' 111.2(9) . . ? 
F1 C19 F1' 26.6(6) . . ? 
F2 C19 F1' 81.1(7) . . ? 
F2' C19 C20 116.0(5) . . ? 
F1 C19 C20 111.9(3) . . ? 
F2 C19 C20 107.1(3) . . ? 
F1' C19 C20 104.6(6) . . ? 
F2' C19 C18 68.8(5) . . ? 
F1 C19 C18 112.3(3) . . ? 
F2 C19 C18 104.1(3) . . ? 
F1' C19 C18 133.3(6) . . ? 
C20 C19 C18 117.2(3) . . ? 
F2' C19 C18' 109.8(6) . . ? 
F1 C19 C18' 68.5(4) . . ? 
F2 C19 C18' 134.0(5) . . ? 
F1' C19 C18' 94.5(6) . . ? 
C20 C19 C18' 118.2(5) . . ? 
C18 C19 C18' 48.5(4) . . ? 
C21 C20 C25 119.3(3) . . ? 
C21 C20 C19 121.2(3) . . ? 
C25 C20 C19 119.4(3) . . ? 
C22 C21 C20 120.7(3) . . ? 
C22 C21 H21 119.7 . . ? 
C20 C21 H21 119.7 . . ? 
C21 C22 C23 119.7(3) . . ? 
C21 C22 H22 120.2 . . ? 
C23 C22 H22 120.2 . . ? 
C24 C23 C22 120.2(3) . . ? 
C24 C23 C26 119.5(3) . . ? 
C22 C23 C26 120.3(3) . . ? 
C25 C24 C23 120.0(3) . . ? 
C25 C24 H24 120.0 . . ? 
C23 C24 H24 120.0 . . ? 
C24 C25 C20 120.2(3) . . ? 
C24 C25 H25 119.9 . . ? 
C20 C25 H25 119.9 . . ? 
N2 C26 C23 179.0(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 
C2 N1 C1 C8 175.6(3) . . . . ? 
C2 N1 C1 S1 -2.9(4) . . . . ? 
C3 S1 C1 N1 2.9(3) . . . . ? 
C3 S1 C1 C8 -175.7(3) . . . . ? 
C1 N1 C2 C3 1.4(4) . . . . ? 
C1 N1 C2 C7 -175.2(3) . . . . ? 
N1 C2 C3 C4 -176.5(3) . . . . ? 
C7 C2 C3 C4 0.3(5) . . . . ? 
N1 C2 C3 S1 0.7(4) . . . . ? 
C7 C2 C3 S1 177.5(3) . . . . ? 
C1 S1 C3 C2 -1.9(2) . . . . ? 
C1 S1 C3 C4 175.1(3) . . . . ? 
C2 C3 C4 C5 0.8(5) . . . . ? 
S1 C3 C4 C5 -175.8(3) . . . . ? 
C3 C4 C5 C6 -1.8(6) . . . . ? 
C4 C5 C6 C7 1.6(6) . . . . ? 
C5 C6 C7 C2 -0.4(6) . . . . ? 
C3 C2 C7 C6 -0.6(5) . . . . ? 
N1 C2 C7 C6 175.9(3) . . . . ? 
N1 C1 C8 C18' -102.6(6) . . . . ? 
S1 C1 C8 C18' 75.9(6) . . . . ? 
N1 C1 C8 C9 92.8(4) . . . . ? 
S1 C1 C8 C9 -88.7(4) . . . . ? 
N1 C1 C8 C18 -45.9(5) . . . . ? 
S1 C1 C8 C18 132.5(3) . . . . ? 
C18' C8 C9 C10 10.9(8) . . . . ? 
C18 C8 C9 C10 -51.6(5) . . . . ? 
C1 C8 C9 C10 172.6(3) . . . . ? 
C8 C9 C10 C11 178.9(3) . . . . ? 
C9 C10 C11 O1 9.9(5) . . . . ? 
C9 C10 C11 C12 -169.3(3) . . . . ? 
O1 C11 C12 C13 3.4(4) . . . . ? 
C10 C11 C12 C13 -177.3(3) . . . . ? 
O1 C11 C12 C17 -174.2(3) . . . . ? 
C10 C11 C12 C17 5.1(4) . . . . ? 
C17 C12 C13 C14 0.7(5) . . . . ? 
C11 C12 C13 C14 -177.1(3) . . . . ? 
C12 C13 C14 C15 0.0(5) . . . . ? 
C13 C14 C15 C16 -0.7(6) . . . . ? 
C14 C15 C16 C17 0.8(5) . . . . ? 
C15 C16 C17 C12 -0.2(5) . . . . ? 
C13 C12 C17 C16 -0.6(5) . . . . ? 
C11 C12 C17 C16 177.0(3) . . . . ? 
C18' C8 C18 C19 39.7(6) . . . . ? 
C9 C8 C18 C19 159.5(4) . . . . ? 
C1 C8 C18 C19 -65.6(5) . . . . ? 
C9 C8 C18' C19 -138.2(6) . . . . ? 
C18 C8 C18' C19 -39.4(6) . . . . ? 
C1 C8 C18' C19 60.7(10) . . . . ? 
C8 C18 C19 F2' 176.5(6) . . . . ? 
C8 C18 C19 F1 -64.3(5) . . . . ? 
C8 C18 C19 F2 -174.9(3) . . . . ? 
C8 C18 C19 F1' -83.8(11) . . . . ? 
C8 C18 C19 C20 67.2(5) . . . . ? 
C8 C18 C19 C18' -37.5(5) . . . . ? 
C8 C18' C19 F2' 74.2(10) . . . . ? 
C8 C18' C19 F1 -166.1(10) . . . . ? 
C8 C18' C19 F2 106.7(8) . . . . ? 
C8 C18' C19 F1' -171.3(10) . . . . ? 
C8 C18' C19 C20 -62.0(10) . . . . ? 
C8 C18' C19 C18 40.6(6) . . . . ? 
F2' C19 C20 C21 174.4(6) . . . . ? 
F1 C19 C20 C21 24.5(5) . . . . ? 
F2 C19 C20 C21 136.5(3) . . . . ? 
F1' C19 C20 C21 51.4(7) . . . . ? 
C18 C19 C20 C21 -107.2(4) . . . . ? 
C18' C19 C20 C21 -52.0(6) . . . . ? 
F2' C19 C20 C25 -9.5(7) . . . . ? 
F1 C19 C20 C25 -159.4(3) . . . . ? 
F2 C19 C20 C25 -47.4(4) . . . . ? 
F1' C19 C20 C25 -132.4(7) . . . . ? 
C18 C19 C20 C25 68.9(4) . . . . ? 
C18' C19 C20 C25 124.1(5) . . . . ? 
C25 C20 C21 C22 -0.6(5) . . . . ? 
C19 C20 C21 C22 175.6(3) . . . . ? 
C20 C21 C22 C23 0.4(5) . . . . ? 
C21 C22 C23 C24 0.7(5) . . . . ? 
C21 C22 C23 C26 -178.5(3) . . . . ? 
C22 C23 C24 C25 -1.6(5) . . . . ? 
C26 C23 C24 C25 177.6(3) . . . . ? 
C23 C24 C25 C20 1.4(5) . . . . ? 
C21 C20 C25 C24 -0.4(5) . . . . ? 
C19 C20 C25 C24 -176.6(3) . . . . ? 
C24 C23 C26 N2 104(25) . . . . ? 
C22 C23 C26 N2 -77(26) . . . . ? 
  
_diffrn_measured_fraction_theta_max    0.998 
_diffrn_reflns_theta_full              25.02 
_diffrn_measured_fraction_theta_full   0.998 
_refine_diff_density_max    0.431 
_refine_diff_density_min   -0.268 
_refine_diff_density_rms    0.048