#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:40:04 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180150 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/47/7104752.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_7104752
loop_
_publ_author_name
'Muñiz, Kilian'
'Iglesias, Alvaro'
'Fang, Yewen'
_publ_section_title
;
 Platinum-catalysed aerobic 1,2-aminooxygenation of alkenes.
;
_journal_issue                   37
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5591
_journal_page_last               5593
_journal_paper_doi               10.1039/b912139k
_journal_volume                  34
_journal_year                    2009
_chemical_formula_moiety         'C24 H28 N2 O3 S'
_chemical_formula_sum            'C24 H28 N2 O3 S'
_chemical_formula_weight         424.54
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                76.514(2)
_cell_angle_beta                 77.422(3)
_cell_angle_gamma                88.597(3)
_cell_formula_units_Z            2
_cell_length_a                   6.3940(2)
_cell_length_b                   12.6597(7)
_cell_length_c                   14.1192(7)
_cell_measurement_reflns_used    5679
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_volume                     1084.29(9)
_computing_cell_refinement       'Denzo (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo (Nonius B.V., 1998)'
_computing_molecular_graphics    'PLATON 98 (Spek, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  KappaCCD
_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  0.0533
_diffrn_reflns_av_sigmaI/netI    0.0563
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10439
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    0.177
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.300
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             452
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.704
_refine_diff_density_min         -0.505
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         4960
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.0810
_refine_ls_R_factor_gt           0.0538
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0893P)²+0.3400P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1411
_refine_ls_wR_factor_ref         0.1718
_reflns_number_gt                3724
_reflns_number_total             4960
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            b912139k.txt
_cod_data_source_block           muniz17
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_database_code               7104752
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
C1 C 1.0727(3) -0.23668(18) 0.34610(16) 0.0258(5) Uani 1 1 d . . .
C2 C 0.8628(4) -0.2712(2) 0.35759(18) 0.0324(5) Uani 1 1 d . . .
H2 H 0.7899 -0.2490 0.3047 0.039 Uiso 1 1 calc R . .
C3 C 0.7609(4) -0.3384(2) 0.44701(19) 0.0374(6) Uani 1 1 d . . .
H3 H 0.6172 -0.3623 0.4547 0.045 Uiso 1 1 calc R . .
C4 C 0.8623(4) -0.3717(2) 0.52557(18) 0.0368(6) Uani 1 1 d . . .
C5 C 1.0701(4) -0.3341(2) 0.51377(19) 0.0422(6) Uani 1 1 d . . .
H5 H 1.1410 -0.3543 0.5676 0.051 Uiso 1 1 calc R . .
C6 C 1.1765(4) -0.2673(2) 0.42423(19) 0.0377(6) Uani 1 1 d . . .
H6 H 1.3197 -0.2427 0.4167 0.045 Uiso 1 1 calc R . .
C7 C 0.7494(5) -0.4459(3) 0.6222(2) 0.0522(8) Uani 1 1 d . . .
H7A H 0.5948 -0.4470 0.6252 0.078 Uiso 1 1 calc R . .
H7B H 0.7766 -0.4194 0.6784 0.078 Uiso 1 1 calc R . .
H7C H 0.8032 -0.5195 0.6259 0.078 Uiso 1 1 calc R . .
C8 C 1.0945(3) 0.01024(17) 0.12597(16) 0.0233(4) Uani 1 1 d . . .
C9 C 1.2768(3) 0.13348(18) -0.01006(16) 0.0281(5) Uani 1 1 d . . .
H9A H 1.3023 0.1173 -0.0769 0.034 Uiso 1 1 calc R . .
H9B H 1.3845 0.1888 -0.0109 0.034 Uiso 1 1 calc R . .
C10 C 1.0496(3) 0.17396(17) 0.01857(16) 0.0245(5) Uani 1 1 d . . .
H10 H 0.9790 0.1851 -0.0395 0.029 Uiso 1 1 calc R . .
C11 C 1.0252(3) 0.27400(17) 0.06162(16) 0.0250(5) Uani 1 1 d . . .
H11A H 1.0773 0.3393 0.0079 0.030 Uiso 1 1 calc R . .
H11B H 1.1129 0.2671 0.1124 0.030 Uiso 1 1 calc R . .
C12 C 0.7883(3) 0.28698(17) 0.10967(16) 0.0237(4) Uani 1 1 d . . .
H12 H 0.7061 0.2857 0.0572 0.028 Uiso 1 1 calc R . .
C13 C 0.7044(3) 0.18624(17) 0.19675(16) 0.0251(5) Uani 1 1 d . . .
C14 C 0.7318(3) 0.08608(18) 0.15182(18) 0.0280(5) Uani 1 1 d . . .
H14A H 0.6956 0.0196 0.2061 0.034 Uiso 1 1 calc R . .
H14B H 0.6314 0.0894 0.1069 0.034 Uiso 1 1 calc R . .
C15 C 0.7472(3) 0.39629(17) 0.13604(16) 0.0245(5) Uani 1 1 d . . .
C16 C 0.8869(4) 0.44561(18) 0.17676(18) 0.0304(5) Uani 1 1 d . . .
H16 H 1.0147 0.4104 0.1888 0.036 Uiso 1 1 calc R . .
C17 C 0.8420(4) 0.54591(19) 0.20001(18) 0.0334(5) Uani 1 1 d . . .
H17 H 0.9390 0.5782 0.2280 0.040 Uiso 1 1 calc R . .
C18 C 0.6580(4) 0.59870(19) 0.18279(17) 0.0313(5) Uani 1 1 d . . .
H18 H 0.6269 0.6666 0.1998 0.038 Uiso 1 1 calc R . .
C19 C 0.5185(4) 0.55198(18) 0.14046(17) 0.0295(5) Uani 1 1 d . . .
H19 H 0.3924 0.5882 0.1274 0.035 Uiso 1 1 calc R . .
C20 C 0.5642(3) 0.45187(18) 0.11730(16) 0.0270(5) Uani 1 1 d . . .
H20 H 0.4684 0.4206 0.0880 0.032 Uiso 1 1 calc R . .
C21 C 0.4646(4) 0.1900(2) 0.24698(19) 0.0357(6) Uani 1 1 d . . .
H21A H 0.4229 0.2659 0.2468 0.043 Uiso 1 1 calc R . .
H21B H 0.3737 0.1592 0.2110 0.043 Uiso 1 1 calc R . .
C22 C 0.4385(5) 0.1236(4) 0.3519(3) 0.0795(12) Uani 1 1 d . . .
H22A H 0.3646 0.0534 0.3592 0.095 Uiso 1 1 calc R . .
H22B H 0.3512 0.1628 0.3991 0.095 Uiso 1 1 calc R . .
C23 C 0.6583(5) 0.1040(3) 0.3745(2) 0.0711(11) Uani 1 1 d . . .
H23A H 0.6905 0.0258 0.3846 0.085 Uiso 1 1 calc R . .
H23B H 0.6660 0.1277 0.4357 0.085 Uiso 1 1 calc R . .
C24 C 0.8167(4) 0.1700(2) 0.28511(17) 0.0335(5) Uani 1 1 d . . .
H24A H 0.9513 0.1305 0.2716 0.040 Uiso 1 1 calc R . .
H24B H 0.8508 0.2410 0.2971 0.040 Uiso 1 1 calc R . .
N1 N 1.0479(3) -0.07195(15) 0.20302(14) 0.0292(4) Uani 1 1 d . . .
N2 N 0.9504(3) 0.08010(14) 0.09603(13) 0.0249(4) Uani 1 1 d . . .
O1 O 1.4126(2) -0.12211(14) 0.24404(13) 0.0376(4) Uani 1 1 d . . .
O2 O 1.2429(3) -0.23383(13) 0.16100(12) 0.0326(4) Uani 1 1 d . . .
O3 O 1.2897(2) 0.03443(12) 0.06666(11) 0.0275(4) Uani 1 1 d . . .
S1 S 1.21744(8) -0.16300(4) 0.22927(4) 0.02515(17) 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'
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
C6 C1 C2 120.2(2) . . ?
C6 C1 S1 119.13(17) . . ?
C2 C1 S1 120.50(17) . . ?
C3 C2 C1 119.2(2) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C2 C3 C4 121.8(2) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 H3 119.1 . . ?
C3 C4 C5 118.3(2) . . ?
C3 C4 C7 121.1(2) . . ?
C5 C4 C7 120.6(2) . . ?
C4 C5 C6 120.9(2) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C1 C6 C5 119.6(2) . . ?
C1 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 N2 123.33(19) . . ?
N1 C8 O3 125.08(19) . . ?
N2 C8 O3 111.58(18) . . ?
O3 C9 C10 105.59(16) . . ?
O3 C9 H9A 110.6 . . ?
C10 C9 H9A 110.6 . . ?
O3 C9 H9B 110.6 . . ?
C10 C9 H9B 110.6 . . ?
H9A C9 H9B 108.8 . . ?
N2 C10 C11 108.99(17) . . ?
N2 C10 C9 100.45(16) . . ?
C11 C10 C9 117.17(18) . . ?
N2 C10 H10 109.9 . . ?
C11 C10 H10 109.9 . . ?
C9 C10 H10 109.9 . . ?
C10 C11 C12 110.25(17) . . ?
C10 C11 H11A 109.6 . . ?
C12 C11 H11A 109.6 . . ?
C10 C11 H11B 109.6 . . ?
C12 C11 H11B 109.6 . . ?
H11A C11 H11B 108.1 . . ?
C15 C12 C11 112.57(17) . . ?
C15 C12 C13 115.05(17) . . ?
C11 C12 C13 110.48(17) . . ?
C15 C12 H12 106.0 . . ?
C11 C12 H12 106.0 . . ?
C13 C12 H12 106.0 . . ?
C14 C13 C24 110.25(19) . . ?
C14 C13 C21 107.37(17) . . ?
C24 C13 C21 103.16(19) . . ?
C14 C13 C12 106.98(17) . . ?
C24 C13 C12 114.73(18) . . ?
C21 C13 C12 114.15(18) . . ?
N2 C14 C13 111.44(16) . . ?
N2 C14 H14A 109.3 . . ?
C13 C14 H14A 109.3 . . ?
N2 C14 H14B 109.3 . . ?
C13 C14 H14B 109.3 . . ?
H14A C14 H14B 108.0 . . ?
C16 C15 C20 117.7(2) . . ?
C16 C15 C12 122.95(19) . . ?
C20 C15 C12 119.30(19) . . ?
C15 C16 C17 120.9(2) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 H16 119.6 . . ?
C18 C17 C16 120.6(2) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C17 C18 C19 119.5(2) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
C18 C19 C20 119.7(2) . . ?
C18 C19 H19 120.2 . . ?
C20 C19 H19 120.2 . . ?
C19 C20 C15 121.6(2) . . ?
C19 C20 H20 119.2 . . ?
C15 C20 H20 119.2 . . ?
C22 C21 C13 106.4(2) . . ?
C22 C21 H21A 110.5 . . ?
C13 C21 H21A 110.5 . . ?
C22 C21 H21B 110.5 . . ?
C13 C21 H21B 110.5 . . ?
H21A C21 H21B 108.6 . . ?
C21 C22 C23 108.3(2) . . ?
C21 C22 H22A 110.0 . . ?
C23 C22 H22A 110.0 . . ?
C21 C22 H22B 110.0 . . ?
C23 C22 H22B 110.0 . . ?
H22A C22 H22B 108.4 . . ?
C22 C23 C24 106.6(3) . . ?
C22 C23 H23A 110.4 . . ?
C24 C23 H23A 110.4 . . ?
C22 C23 H23B 110.4 . . ?
C24 C23 H23B 110.4 . . ?
H23A C23 H23B 108.6 . . ?
C23 C24 C13 105.5(2) . . ?
C23 C24 H24A 110.6 . . ?
C13 C24 H24A 110.6 . . ?
C23 C24 H24B 110.6 . . ?
C13 C24 H24B 110.6 . . ?
H24A C24 H24B 108.8 . . ?
C8 N1 S1 122.19(15) . . ?
C8 N2 C14 125.19(18) . . ?
C8 N2 C10 112.18(17) . . ?
C14 N2 C10 119.74(17) . . ?
C8 O3 C9 108.50(16) . . ?
O1 S1 O2 115.77(10) . . ?
O1 S1 N1 114.44(11) . . ?
O2 S1 N1 110.04(10) . . ?
O1 S1 C1 107.79(10) . . ?
O2 S1 C1 107.60(10) . . ?
N1 S1 C1 99.71(10) . . ?
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
C1 C6 1.384(3) . ?
C1 C2 1.385(3) . ?
C1 S1 1.763(2) . ?
C2 C3 1.382(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.382(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.385(4) . ?
C4 C7 1.507(3) . ?
C5 C6 1.390(3) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 N1 1.304(3) . ?
C8 N2 1.329(3) . ?
C8 O3 1.340(2) . ?
C9 O3 1.467(3) . ?
C9 C10 1.530(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 N2 1.463(3) . ?
C10 C11 1.519(3) . ?
C10 H10 1.0000 . ?
C11 C12 1.541(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C15 1.517(3) . ?
C12 C13 1.562(3) . ?
C12 H12 1.0000 . ?
C13 C14 1.535(3) . ?
C13 C24 1.542(3) . ?
C13 C21 1.548(3) . ?
C14 N2 1.457(3) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.392(3) . ?
C15 C20 1.393(3) . ?
C16 C17 1.392(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.378(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.387(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.390(3) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.500(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.510(5) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.520(4) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
N1 S1 1.5985(19) . ?
O1 S1 1.4366(16) . ?
O2 S1 1.4447(17) . ?
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
C6 C1 C2 C3 -1.5(4) . . . . ?
S1 C1 C2 C3 173.3(2) . . . . ?
C1 C2 C3 C4 0.3(4) . . . . ?
C2 C3 C4 C5 1.4(4) . . . . ?
C2 C3 C4 C7 -179.4(3) . . . . ?
C3 C4 C5 C6 -1.9(4) . . . . ?
C7 C4 C5 C6 178.9(3) . . . . ?
C2 C1 C6 C5 1.0(4) . . . . ?
S1 C1 C6 C5 -173.9(2) . . . . ?
C4 C5 C6 C1 0.8(4) . . . . ?
O3 C9 C10 N2 -11.2(2) . . . . ?
O3 C9 C10 C11 106.6(2) . . . . ?
N2 C10 C11 C12 -53.0(2) . . . . ?
C9 C10 C11 C12 -166.12(18) . . . . ?
C10 C11 C12 C15 -168.94(17) . . . . ?
C10 C11 C12 C13 60.9(2) . . . . ?
C15 C12 C13 C14 172.06(17) . . . . ?
C11 C12 C13 C14 -59.1(2) . . . . ?
C15 C12 C13 C24 -65.3(2) . . . . ?
C11 C12 C13 C24 63.5(2) . . . . ?
C15 C12 C13 C21 53.4(3) . . . . ?
C11 C12 C13 C21 -177.74(19) . . . . ?
C24 C13 C14 N2 -72.7(2) . . . . ?
C21 C13 C14 N2 175.64(18) . . . . ?
C12 C13 C14 N2 52.7(2) . . . . ?
C11 C12 C15 C16 -40.4(3) . . . . ?
C13 C12 C15 C16 87.3(2) . . . . ?
C11 C12 C15 C20 138.2(2) . . . . ?
C13 C12 C15 C20 -94.0(2) . . . . ?
C20 C15 C16 C17 1.5(3) . . . . ?
C12 C15 C16 C17 -179.8(2) . . . . ?
C15 C16 C17 C18 -0.2(4) . . . . ?
C16 C17 C18 C19 -1.0(3) . . . . ?
C17 C18 C19 C20 1.0(3) . . . . ?
C18 C19 C20 C15 0.4(3) . . . . ?
C16 C15 C20 C19 -1.6(3) . . . . ?
C12 C15 C20 C19 179.70(19) . . . . ?
C14 C13 C21 C22 88.4(3) . . . . ?
C24 C13 C21 C22 -28.0(3) . . . . ?
C12 C13 C21 C22 -153.2(3) . . . . ?
C13 C21 C22 C23 14.1(4) . . . . ?
C21 C22 C23 C24 5.9(4) . . . . ?
C22 C23 C24 C13 -23.7(4) . . . . ?
C14 C13 C24 C23 -82.8(3) . . . . ?
C21 C13 C24 C23 31.6(3) . . . . ?
C12 C13 C24 C23 156.4(2) . . . . ?
N2 C8 N1 S1 172.16(17) . . . . ?
O3 C8 N1 S1 -7.0(3) . . . . ?
N1 C8 N2 C14 10.1(3) . . . . ?
O3 C8 N2 C14 -170.70(18) . . . . ?
N1 C8 N2 C10 170.7(2) . . . . ?
O3 C8 N2 C10 -10.1(2) . . . . ?
C13 C14 N2 C8 106.7(2) . . . . ?
C13 C14 N2 C10 -52.5(3) . . . . ?
C11 C10 N2 C8 -110.6(2) . . . . ?
C9 C10 N2 C8 13.1(2) . . . . ?
C11 C10 N2 C14 51.2(2) . . . . ?
C9 C10 N2 C14 174.88(18) . . . . ?
N1 C8 O3 C9 -179.0(2) . . . . ?
N2 C8 O3 C9 1.8(2) . . . . ?
C10 C9 O3 C8 6.5(2) . . . . ?
C8 N1 S1 O1 57.8(2) . . . . ?
C8 N1 S1 O2 -74.6(2) . . . . ?
C8 N1 S1 C1 172.52(19) . . . . ?
C6 C1 S1 O1 -15.3(2) . . . . ?
C2 C1 S1 O1 169.87(19) . . . . ?
C6 C1 S1 O2 110.2(2) . . . . ?
C2 C1 S1 O2 -64.6(2) . . . . ?
C6 C1 S1 N1 -135.0(2) . . . . ?
C2 C1 S1 N1 50.2(2) . . . . ?
