#------------------------------------------------------------------------------
#$Date: 2016-03-26 15:12:35 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180293 $
#$URL: svn://www.crystallography.net/cod/cif/7/15/07/7150764.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7150764
loop_
_publ_author_name
'Yu, Xingxin'
'Yang, Xiaodi'
'Wu, Jie'
_publ_section_title
;
 Multicatalytic tandem reaction of
 N′-(2-alkynylbenzylidene)hydrazide with indole
;
_journal_issue                   21
_journal_name_full               'Organic & Biomolecular Chemistry'
_journal_page_first              4526
_journal_page_last               4530
_journal_paper_doi               10.1039/b913409c
_journal_volume                  7
_journal_year                    2009
_chemical_formula_sum            'C26 H20 Br Cl F4 N3 O4 S'
_chemical_formula_weight         661.87
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.293(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.839(2)
_cell_length_b                   10.8146(18)
_cell_length_c                   21.529(4)
_cell_measurement_reflns_used    4134
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.72
_cell_measurement_theta_min      2.57
_cell_volume                     2720.3(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0248
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            14327
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    1.752
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.616222
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1332
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.448
_refine_diff_density_min         -0.500
_refine_diff_density_rms         0.047
_refine_ls_extinction_coef       0.0021(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         5342
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.041
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0503P)²+1.6405P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1018
_refine_ls_wR_factor_ref         0.1151
_reflns_number_gt                3710
_reflns_number_total             5342
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b913409c.txt
_cod_data_source_block           wujie090408_0m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7150764
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'
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
Br1 Br 0.65462(4) 0.48335(4) 0.063454(19) 0.08594(19) Uani 1 1 d . . .
C12 C 0.8642(2) 0.0949(3) 0.24820(13) 0.0436(6) Uani 1 1 d . . .
N1 N 0.92944(17) 0.1634(2) 0.29230(11) 0.0445(5) Uani 1 1 d . . .
C19 C 0.6751(2) 0.2002(2) 0.19344(12) 0.0418(6) Uani 1 1 d . . .
C10 C 1.0362(2) -0.0147(3) 0.23100(13) 0.0450(6) Uani 1 1 d . . .
C8 C 1.0477(2) 0.1517(3) 0.30669(13) 0.0453(6) Uani 1 1 d . . .
C9 C 1.0982(2) 0.0628(3) 0.27674(14) 0.0486(7) Uani 1 1 d . . .
H15 H 1.1770 0.0524 0.2867 0.058 Uiso 1 1 calc R . .
C18 C 0.7391(2) 0.1153(2) 0.23745(13) 0.0463(7) Uani 1 1 d . . .
C11 C 0.9167(2) 0.0041(2) 0.21584(13) 0.0437(6) Uani 1 1 d . . .
F1 F 0.84516(17) -0.23723(19) 0.09996(10) 0.0811(6) Uani 1 1 d . . .
C24 C 0.7051(2) 0.2869(3) 0.15122(13) 0.0490(7) Uani 1 1 d . . .
H26 H 0.7807 0.2978 0.1455 0.059 Uiso 1 1 calc R . .
C1 C 1.1132(2) 0.2350(3) 0.35392(13) 0.0472(7) Uani 1 1 d . . .
N3 N 0.55454(18) 0.0962(2) 0.24534(12) 0.0559(6) Uani 1 1 d . . .
H2A H 0.4931 0.0707 0.2578 0.067 Uiso 1 1 calc R . .
C16 C 0.8519(2) -0.0713(3) 0.16962(14) 0.0524(7) Uani 1 1 d . . .
H13 H 0.7735 -0.0592 0.1580 0.063 Uiso 1 1 calc R . .
N2 N 0.87716(19) 0.2538(2) 0.32452(12) 0.0617(7) Uani 1 1 d . . .
H2B H 0.8044 0.2650 0.3160 0.074 Uiso 1 1 calc R . .
H2C H 0.9178 0.2983 0.3528 0.074 Uiso 1 1 calc R . .
C2 C 1.1165(2) 0.3615(3) 0.34534(14) 0.0540(7) Uani 1 1 d . . .
H2 H 1.0679 0.3971 0.3119 0.065 Uiso 1 1 calc R . .
C21 C 0.4725(2) 0.2539(3) 0.16506(15) 0.0571(8) Uani 1 1 d . . .
H23 H 0.3962 0.2423 0.1692 0.069 Uiso 1 1 calc R . .
C13 C 1.0876(2) -0.1100(3) 0.20091(15) 0.0566(8) Uani 1 1 d . . .
H10 H 1.1661 -0.1230 0.2109 0.068 Uiso 1 1 calc R . .
C17 C 0.6623(2) 0.0548(3) 0.26731(15) 0.0545(7) Uani 1 1 d . . .
H20 H 0.6806 -0.0055 0.2980 0.065 Uiso 1 1 calc R . .
C15 C 0.9067(3) -0.1612(3) 0.14284(14) 0.0554(7) Uani 1 1 d . . .
C22 C 0.5034(3) 0.3394(3) 0.12410(15) 0.0612(8) Uani 1 1 d . . .
H24 H 0.4473 0.3870 0.0999 0.073 Uiso 1 1 calc R . .
C20 C 0.5594(2) 0.1848(3) 0.20031(14) 0.0478(7) Uani 1 1 d . . .
C23 C 0.6171(3) 0.3561(3) 0.11815(13) 0.0560(7) Uani 1 1 d . . .
O1 O 1.3389(2) 0.4486(2) 0.47629(13) 0.0869(8) Uani 1 1 d . . .
C4 C 1.2613(2) 0.3848(3) 0.43525(15) 0.0576(8) Uani 1 1 d . . .
F3 F 0.4905(2) 0.8206(2) 0.44871(11) 0.1090(8) Uani 1 1 d . . .
C3 C 1.1900(3) 0.4365(3) 0.38511(15) 0.0561(7) Uani 1 1 d . . .
H3 H 1.1913 0.5213 0.3781 0.067 Uiso 1 1 calc R . .
C5 C 1.2555(3) 0.2587(3) 0.44607(16) 0.0694(9) Uani 1 1 d . . .
H6 H 1.3009 0.2240 0.4810 0.083 Uiso 1 1 calc R . .
C6 C 1.1836(2) 0.1847(3) 0.40566(15) 0.0636(9) Uani 1 1 d . . .
H5 H 1.1819 0.1000 0.4130 0.076 Uiso 1 1 calc R . .
C25 C 0.4443(4) 0.9119(4) 0.41467(18) 0.0771(10) Uani 1 1 d . . .
C14 C 1.0241(3) -0.1832(3) 0.15746(15) 0.0607(8) Uani 1 1 d . . .
H9 H 1.0581 -0.2467 0.1379 0.073 Uiso 1 1 calc R . .
F4 F 0.5181(3) 1.0029(3) 0.42181(14) 0.1467(14) Uani 1 1 d . . .
C7 C 1.3644(4) 0.5730(4) 0.4600(2) 0.0956(13) Uani 1 1 d . . .
H7A H 1.3871 0.5738 0.4192 0.143 Uiso 1 1 calc R . .
H7B H 1.4255 0.6047 0.4906 0.143 Uiso 1 1 calc R . .
H7C H 1.2976 0.6236 0.4594 0.143 Uiso 1 1 calc R . .
F2 F 0.3553(3) 0.9466(4) 0.43955(13) 0.1599(15) Uani 1 1 d . . .
Cl1 Cl 0.59189(13) 0.83156(14) 1.02095(6) 0.1266(5) Uani 1 1 d . . .
C26 C 0.4879(4) 0.9422(5) 0.9842(2) 0.1163(18) Uani 1 1 d . . .
H34A H 0.4933 0.9506 0.9399 0.140 Uiso 1 1 calc R . .
H34B H 0.4112 0.9150 0.9878 0.140 Uiso 1 1 calc R . .
S1 S 0.40448(6) 0.87253(8) 0.33249(4) 0.0537(2) Uani 1 1 d . . .
O2 O 0.37260(18) 0.9905(2) 0.30363(11) 0.0693(6) Uani 1 1 d . . .
O3 O 0.50790(18) 0.8235(2) 0.31649(11) 0.0744(7) Uani 1 1 d . . .
O4 O 0.3132(2) 0.7874(3) 0.33094(13) 0.0924(8) Uani 1 1 d . . .
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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
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
N1 C12 C11 119.0(2) . . ?
N1 C12 C18 118.4(2) . . ?
C11 C12 C18 122.6(2) . . ?
C12 N1 C8 123.4(2) . . ?
C12 N1 N2 119.0(2) . . ?
C8 N1 N2 117.6(2) . . ?
C24 C19 C20 120.2(2) . . ?
C24 C19 C18 134.1(2) . . ?
C20 C19 C18 105.8(2) . . ?
C13 C10 C9 122.9(2) . . ?
C13 C10 C11 119.4(3) . . ?
C9 C10 C11 117.7(2) . . ?
C9 C8 N1 117.8(2) . . ?
C9 C8 C1 122.6(2) . . ?
N1 C8 C1 119.6(2) . . ?
C8 C9 C10 122.5(2) . . ?
C8 C9 H15 118.7 . . ?
C10 C9 H15 118.7 . . ?
C17 C18 C19 107.2(2) . . ?
C17 C18 C12 125.6(3) . . ?
C19 C18 C12 127.2(2) . . ?
C12 C11 C16 121.2(2) . . ?
C12 C11 C10 119.5(2) . . ?
C16 C11 C10 119.2(3) . . ?
C23 C24 C19 116.8(3) . . ?
C23 C24 H26 121.6 . . ?
C19 C24 H26 121.6 . . ?
C2 C1 C6 118.0(3) . . ?
C2 C1 C8 122.3(2) . . ?
C6 C1 C8 119.4(3) . . ?
C17 N3 C20 109.3(2) . . ?
C17 N3 H2A 125.3 . . ?
C20 N3 H2A 125.3 . . ?
C15 C16 C11 118.2(3) . . ?
C15 C16 H13 120.9 . . ?
C11 C16 H13 120.9 . . ?
N1 N2 H2B 120.0 . . ?
N1 N2 H2C 120.0 . . ?
H2B N2 H2C 120.0 . . ?
C3 C2 C1 121.8(3) . . ?
C3 C2 H2 119.1 . . ?
C1 C2 H2 119.1 . . ?
C22 C21 C20 117.6(3) . . ?
C22 C21 H23 121.2 . . ?
C20 C21 H23 121.2 . . ?
C14 C13 C10 120.8(3) . . ?
C14 C13 H10 119.6 . . ?
C10 C13 H10 119.6 . . ?
N3 C17 C18 109.7(3) . . ?
N3 C17 H20 125.1 . . ?
C18 C17 H20 125.1 . . ?
C16 C15 F1 119.0(3) . . ?
C16 C15 C14 123.8(3) . . ?
F1 C15 C14 117.1(3) . . ?
C21 C22 C23 120.9(3) . . ?
C21 C22 H24 119.6 . . ?
C23 C22 H24 119.6 . . ?
N3 C20 C21 130.4(3) . . ?
N3 C20 C19 108.0(2) . . ?
C21 C20 C19 121.6(3) . . ?
C24 C23 C22 123.0(3) . . ?
C24 C23 Br1 118.5(2) . . ?
C22 C23 Br1 118.5(2) . . ?
C4 O1 C7 117.7(3) . . ?
O1 C4 C3 124.7(3) . . ?
O1 C4 C5 115.9(3) . . ?
C3 C4 C5 119.4(3) . . ?
C2 C3 C4 119.5(3) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C6 C5 C4 120.6(3) . . ?
C6 C5 H6 119.7 . . ?
C4 C5 H6 119.7 . . ?
C5 C6 C1 120.6(3) . . ?
C5 C6 H5 119.7 . . ?
C1 C6 H5 119.7 . . ?
F3 C25 F4 107.1(3) . . ?
F3 C25 F2 106.3(4) . . ?
F4 C25 F2 107.6(4) . . ?
F3 C25 S1 113.1(3) . . ?
F4 C25 S1 110.9(3) . . ?
F2 C25 S1 111.6(3) . . ?
C13 C14 C15 118.5(3) . . ?
C13 C14 H9 120.8 . . ?
C15 C14 H9 120.8 . . ?
O1 C7 H7A 109.5 . . ?
O1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
O1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C26 C26 Cl1 107.5(5) 3_677 . ?
C26 C26 H34A 110.2 3_677 . ?
Cl1 C26 H34A 110.2 . . ?
C26 C26 H34B 110.2 3_677 . ?
Cl1 C26 H34B 110.2 . . ?
H34A C26 H34B 108.5 . . ?
O4 S1 O3 115.71(17) . . ?
O4 S1 O2 114.80(15) . . ?
O3 S1 O2 113.58(14) . . ?
O4 S1 C25 104.73(19) . . ?
O3 S1 C25 103.04(16) . . ?
O2 S1 C25 102.82(16) . . ?
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
Br1 C23 1.910(3) . ?
C12 N1 1.346(3) . ?
C12 C11 1.406(4) . ?
C12 C18 1.477(3) . ?
N1 C8 1.390(3) . ?
N1 N2 1.400(3) . ?
C19 C24 1.391(4) . ?
C19 C20 1.411(4) . ?
C19 C18 1.443(4) . ?
C10 C13 1.407(4) . ?
C10 C9 1.406(4) . ?
C10 C11 1.415(3) . ?
C8 C9 1.350(4) . ?
C8 C1 1.481(4) . ?
C9 H15 0.9300 . ?
C18 C17 1.363(4) . ?
C11 C16 1.413(4) . ?
F1 C15 1.357(3) . ?
C24 C23 1.383(4) . ?
C24 H26 0.9300 . ?
C1 C2 1.381(4) . ?
C1 C6 1.390(4) . ?
N3 C17 1.362(3) . ?
N3 C20 1.371(4) . ?
N3 H2A 0.8600 . ?
C16 C15 1.349(4) . ?
C16 H13 0.9300 . ?
N2 H2B 0.8600 . ?
N2 H2C 0.8600 . ?
C2 C3 1.381(4) . ?
C2 H2 0.9300 . ?
C21 C22 1.368(4) . ?
C21 C20 1.394(4) . ?
C21 H23 0.9300 . ?
C13 C14 1.356(4) . ?
C13 H10 0.9300 . ?
C17 H20 0.9300 . ?
C15 C14 1.396(4) . ?
C22 C23 1.385(4) . ?
C22 H24 0.9300 . ?
O1 C4 1.356(4) . ?
O1 C7 1.434(5) . ?
C4 C3 1.377(4) . ?
C4 C5 1.387(5) . ?
F3 C25 1.297(4) . ?
C3 H3 0.9300 . ?
C5 C6 1.373(4) . ?
C5 H6 0.9300 . ?
C6 H5 0.9300 . ?
C25 F4 1.308(5) . ?
C25 F2 1.312(5) . ?
C25 S1 1.807(4) . ?
C14 H9 0.9300 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
Cl1 C26 1.805(6) . ?
C26 C26 1.431(10) 3_677 ?
C26 H34A 0.9700 . ?
C26 H34B 0.9700 . ?
S1 O4 1.416(2) . ?
S1 O3 1.427(2) . ?
S1 O2 1.442(2) . ?
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
C11 C12 N1 C8 1.8(4) . . . . ?
C18 C12 N1 C8 179.6(2) . . . . ?
C11 C12 N1 N2 180.0(2) . . . . ?
C18 C12 N1 N2 -2.3(4) . . . . ?
C12 N1 C8 C9 -3.3(4) . . . . ?
N2 N1 C8 C9 178.6(2) . . . . ?
C12 N1 C8 C1 177.2(2) . . . . ?
N2 N1 C8 C1 -1.0(4) . . . . ?
N1 C8 C9 C10 1.7(4) . . . . ?
C1 C8 C9 C10 -178.7(3) . . . . ?
C13 C10 C9 C8 -178.0(3) . . . . ?
C11 C10 C9 C8 1.0(4) . . . . ?
C24 C19 C18 C17 178.7(3) . . . . ?
C20 C19 C18 C17 0.3(3) . . . . ?
C24 C19 C18 C12 -2.2(5) . . . . ?
C20 C19 C18 C12 179.4(3) . . . . ?
N1 C12 C18 C17 -90.5(4) . . . . ?
C11 C12 C18 C17 87.2(4) . . . . ?
N1 C12 C18 C19 90.6(3) . . . . ?
C11 C12 C18 C19 -91.7(4) . . . . ?
N1 C12 C11 C16 179.3(2) . . . . ?
C18 C12 C11 C16 1.6(4) . . . . ?
N1 C12 C11 C10 1.1(4) . . . . ?
C18 C12 C11 C10 -176.6(2) . . . . ?
C13 C10 C11 C12 176.6(3) . . . . ?
C9 C10 C11 C12 -2.5(4) . . . . ?
C13 C10 C11 C16 -1.6(4) . . . . ?
C9 C10 C11 C16 179.4(3) . . . . ?
C20 C19 C24 C23 0.9(4) . . . . ?
C18 C19 C24 C23 -177.3(3) . . . . ?
C9 C8 C1 C2 117.6(3) . . . . ?
N1 C8 C1 C2 -62.9(4) . . . . ?
C9 C8 C1 C6 -55.6(4) . . . . ?
N1 C8 C1 C6 124.0(3) . . . . ?
C12 C11 C16 C15 -176.4(3) . . . . ?
C10 C11 C16 C15 1.8(4) . . . . ?
C6 C1 C2 C3 2.4(4) . . . . ?
C8 C1 C2 C3 -170.8(3) . . . . ?
C9 C10 C13 C14 179.4(3) . . . . ?
C11 C10 C13 C14 0.4(4) . . . . ?
C20 N3 C17 C18 0.2(3) . . . . ?
C19 C18 C17 N3 -0.3(3) . . . . ?
C12 C18 C17 N3 -179.4(3) . . . . ?
C11 C16 C15 F1 177.7(3) . . . . ?
C11 C16 C15 C14 -0.9(5) . . . . ?
C20 C21 C22 C23 0.0(4) . . . . ?
C17 N3 C20 C21 -179.4(3) . . . . ?
C17 N3 C20 C19 0.0(3) . . . . ?
C22 C21 C20 N3 178.2(3) . . . . ?
C22 C21 C20 C19 -1.2(4) . . . . ?
C24 C19 C20 N3 -178.8(2) . . . . ?
C18 C19 C20 N3 -0.2(3) . . . . ?
C24 C19 C20 C21 0.7(4) . . . . ?
C18 C19 C20 C21 179.3(3) . . . . ?
C19 C24 C23 C22 -2.1(4) . . . . ?
C19 C24 C23 Br1 176.2(2) . . . . ?
C21 C22 C23 C24 1.7(5) . . . . ?
C21 C22 C23 Br1 -176.6(2) . . . . ?
C7 O1 C4 C3 -12.5(5) . . . . ?
C7 O1 C4 C5 167.7(3) . . . . ?
C1 C2 C3 C4 -0.8(5) . . . . ?
O1 C4 C3 C2 178.1(3) . . . . ?
C5 C4 C3 C2 -2.0(5) . . . . ?
O1 C4 C5 C6 -177.0(3) . . . . ?
C3 C4 C5 C6 3.1(5) . . . . ?
C4 C5 C6 C1 -1.4(5) . . . . ?
C2 C1 C6 C5 -1.3(5) . . . . ?
C8 C1 C6 C5 172.1(3) . . . . ?
C10 C13 C14 C15 0.5(5) . . . . ?
C16 C15 C14 C13 -0.3(5) . . . . ?
F1 C15 C14 C13 -179.0(3) . . . . ?
F3 C25 S1 O4 68.1(3) . . . . ?
F4 C25 S1 O4 -171.5(3) . . . . ?
F2 C25 S1 O4 -51.6(4) . . . . ?
F3 C25 S1 O3 -53.3(3) . . . . ?
F4 C25 S1 O3 67.0(3) . . . . ?
F2 C25 S1 O3 -173.1(3) . . . . ?
F3 C25 S1 O2 -171.6(3) . . . . ?
F4 C25 S1 O2 -51.2(3) . . . . ?
F2 C25 S1 O2 68.7(4) . . . . ?
