#------------------------------------------------------------------------------
#$Date: 2022-09-16 00:53:29 +0300 (Fri, 16 Sep 2022) $
#$Revision: 277895 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/07/7130711.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_7130711
loop_
_publ_author_name
'Tang, Shi-Zhong'
'Xiang, Kai'
'Ye, Rui'
'Chen, Meng-En'
'Yu, Jian-Chang'
'He, Zhi-Juan'
'Zhang, Fu-Min'
_publ_section_title
;
 Preparation of thioamides from alkyl bromides, nitriles, and hydrogen
 sulfide through a thio-Ritter-type reaction
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC04210J
_journal_year                    2022
_chemical_formula_moiety         'C14 H23 N S'
_chemical_formula_sum            'C14 H23 N S'
_chemical_formula_weight         237.39
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-04-26
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2022-04-26 deposited with the CCDC.	2022-09-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.9195(14)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.57483(18)
_cell_length_b                   11.2206(2)
_cell_length_c                   10.30302(15)
_cell_measurement_reflns_used    6251
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      76.7890
_cell_measurement_theta_min      3.8380
_cell_volume                     1334.99(4)
_computing_cell_refinement       'CrysAlisPro 1.171.41.113a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.113a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.113a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     62.00 117.00   0.50    0.05    --   47.57 148.00-143.00  110
  2  ω     61.00  87.00   0.50    0.10    --  107.75 148.00-143.00   52
  3  ω    102.00 127.00   0.50    0.10    --  107.75 123.00  51.00   50
  4  ω     88.00 124.00   0.50    0.10    --  107.75 125.00  90.00   72
  5  ω    135.00 174.00   0.50    0.10    --  107.75 125.00  90.00   78
  6  ω     48.00  73.00   0.50    0.10    --  107.75-123.00 -28.00   50
  7  ω     37.00  64.00   0.50    0.10    --  107.75-148.00 167.00   54
  8  ω     86.00 128.00   0.50    0.10    --  107.75-148.00 167.00   84
  9  ω     44.00  69.00   0.50    0.05    --   47.57-148.00 167.00   50
 10  ω    -24.00  18.00   0.50    0.05    --   47.57 -19.00   0.00   84
 11  ω    -17.00  23.00   0.50    0.05    --   47.57 -19.00  30.00   80
 12  ω    -26.00  23.00   0.50    0.05    --   47.57 -19.00 -60.00   98
 13  ω    -18.00   8.00   0.50    0.05    --   47.57 -19.00-150.00   52
 14  ω     40.00  66.00   0.50    0.10    --  107.75 -77.00-180.00   52
 15  ω     77.00 102.00   0.50    0.10    --  107.75 -77.00-180.00   50
 16  ω     37.00  62.00   0.50    0.10    --  107.75 -57.00-150.00   50
 17  ω     38.00  63.00   0.50    0.10    --  107.75 -57.00 120.00   50
 18  ω   -100.00 -67.00   0.50    0.05    --  -47.57-148.00 167.00   66
 19  ω   -171.00 -86.00   0.50    0.10    -- -100.00 -57.00-120.00  170
 20  ω   -175.00-139.00   0.50    0.10    -- -100.00 -19.00 150.00   72
 21  ω   -118.00 -91.00   0.50    0.10    -- -100.00 -19.00 150.00   54
 22  ω    -68.00 -27.00   0.50    0.10    -- -100.00  57.00  90.00   82
 23  ω    -62.00 -37.00   0.50    0.10    -- -100.00  57.00  30.00   50
 24  ω   -112.00 -36.00   0.50    0.10    -- -100.00 125.00   0.00  152
 25  ω    -68.00 -43.00   0.50    0.10    -- -100.00 123.00  51.00   50
 26  ω    -94.00 -68.00   0.50    0.05    --  -47.57 123.00  51.00   52
 27  ω    -69.00 -44.00   0.50    0.10    -- -100.00  57.00-120.00   50
 28  ω   -109.00 -89.00   0.50    0.05    --  -47.57 148.00-143.00   40
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0277500000
_diffrn_orient_matrix_UB_12      -0.1338150000
_diffrn_orient_matrix_UB_13      0.0109624000
_diffrn_orient_matrix_UB_21      0.1304384000
_diffrn_orient_matrix_UB_22      -0.0284366000
_diffrn_orient_matrix_UB_23      0.0114890000
_diffrn_orient_matrix_UB_31      0.0009992000
_diffrn_orient_matrix_UB_32      0.0119878000
_diffrn_orient_matrix_UB_33      0.1490680000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_av_unetI/netI     0.0369
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.940
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            9526
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.940
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.988
_diffrn_reflns_theta_min         3.828
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    1.923
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74759
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.113a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.181
_exptl_crystal_description       needle
_exptl_crystal_F_000             520
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.479
_refine_diff_density_min         -0.283
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         2659
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0469
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0723P)²+0.5879P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1292
_refine_ls_wR_factor_ref         0.1318
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2391
_reflns_number_total             2659
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc04210j2.cif
_cod_data_source_block           tangshizhong3_0425_auto
_cod_database_code               7130711
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.802
_shelx_estimated_absorpt_t_min   0.615
_reflns_odcompleteness_completeness 98.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1A), C8(H8), C9(H9), C12(H12)
2.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B), C10(H10A,
 H10B), C11(H11A,H11B), C13(H13A,H13B), C14(H14A,H14B)
2.c Aromatic/amide H refined with riding coordinates:
 N1(H1)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.745
_oxdiff_exptl_absorpt_empirical_full_min 0.403
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
S1 S 0.53482(4) 0.62548(4) 0.35067(4) 0.02518(17) Uani 1 1 d . . . . .
N1 N 0.58313(12) 0.69634(13) 0.59270(12) 0.0214(3) Uani 1 1 d . . . . .
H1 H 0.567134 0.740167 0.659994 0.026 Uiso 1 1 calc R U . . .
C1 C 0.40999(14) 0.78600(16) 0.49616(15) 0.0214(4) Uani 1 1 d . . . . .
H1A H 0.421109 0.830330 0.580285 0.026 Uiso 1 1 calc R U . . .
C2 C 0.3994(2) 0.8775(2) 0.3867(2) 0.0398(5) Uani 1 1 d . . . . .
H2A H 0.392789 0.835891 0.301836 0.048 Uiso 1 1 calc R U . . .
H2B H 0.469981 0.927522 0.389868 0.048 Uiso 1 1 calc R U . . .
C3 C 0.2929(2) 0.9573(2) 0.3988(2) 0.0513(7) Uani 1 1 d . . . . .
H3A H 0.304673 1.007204 0.477799 0.062 Uiso 1 1 calc R U . . .
H3B H 0.284190 1.011089 0.322583 0.062 Uiso 1 1 calc R U . . .
C4 C 0.1832(2) 0.8847(3) 0.4065(3) 0.0613(8) Uani 1 1 d . . . . .
H4A H 0.117963 0.938846 0.421678 0.074 Uiso 1 1 calc R U . . .
H4B H 0.165412 0.843586 0.322554 0.074 Uiso 1 1 calc R U . . .
C5 C 0.19482(17) 0.7933(2) 0.5147(3) 0.0496(6) Uani 1 1 d . . . . .
H5A H 0.123477 0.744484 0.513201 0.060 Uiso 1 1 calc R U . . .
H5B H 0.203682 0.834644 0.599661 0.060 Uiso 1 1 calc R U . . .
C6 C 0.29919(16) 0.7119(2) 0.5002(2) 0.0367(5) Uani 1 1 d . . . . .
H6A H 0.287267 0.664797 0.419091 0.044 Uiso 1 1 calc R U . . .
H6B H 0.306910 0.655614 0.574311 0.044 Uiso 1 1 calc R U . . .
C7 C 0.51342(14) 0.70416(15) 0.48605(15) 0.0205(3) Uani 1 1 d . . . . .
C8 C 0.68507(14) 0.61950(15) 0.60587(16) 0.0221(4) Uani 1 1 d . . . . .
H8 H 0.670383 0.545426 0.553344 0.027 Uiso 1 1 calc R U . . .
C9 C 0.79515(15) 0.68177(19) 0.56290(18) 0.0309(4) Uani 1 1 d . . . . .
H9 H 0.781949 0.740476 0.490376 0.037 Uiso 1 1 calc R U . . .
C10 C 0.88166(16) 0.5825(2) 0.5385(2) 0.0368(5) Uani 1 1 d . . . . .
H10A H 0.950531 0.614332 0.498314 0.044 Uiso 1 1 calc R U . . .
H10B H 0.845605 0.519826 0.481488 0.044 Uiso 1 1 calc R U . . .
C11 C 0.91428(16) 0.5335(2) 0.67676(19) 0.0347(5) Uani 1 1 d . . . . .
H11A H 0.889572 0.449483 0.684637 0.042 Uiso 1 1 calc R U . . .
H11B H 0.998792 0.538875 0.698308 0.042 Uiso 1 1 calc R U . . .
C12 C 0.84725(17) 0.61556(19) 0.76554(19) 0.0342(5) Uani 1 1 d . . . . .
H12 H 0.879773 0.619226 0.857901 0.041 Uiso 1 1 calc R U . . .
C13 C 0.71868(16) 0.5856(2) 0.74902(17) 0.0311(4) Uani 1 1 d . . . . .
H13A H 0.674012 0.632886 0.809427 0.037 Uiso 1 1 calc R U . . .
H13B H 0.705240 0.499775 0.764380 0.037 Uiso 1 1 calc R U . . .
C14 C 0.84770(17) 0.73443(19) 0.6928(2) 0.0364(5) Uani 1 1 d . . . . .
H14A H 0.926634 0.766768 0.685960 0.044 Uiso 1 1 calc R U . . .
H14B H 0.797270 0.795074 0.729840 0.044 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
C7 N1 H1 118.0 . . ?
C7 N1 C8 124.08(14) . . ?
C8 N1 H1 118.0 . . ?
C2 C1 H1A 107.8 . . ?
C2 C1 C6 111.14(16) . . ?
C6 C1 H1A 107.8 . . ?
C7 C1 H1A 107.8 . . ?
C7 C1 C2 112.41(14) . . ?
C7 C1 C6 109.82(15) . . ?
C1 C2 H2A 109.4 . . ?
C1 C2 H2B 109.4 . . ?
C1 C2 C3 110.96(16) . . ?
H2A C2 H2B 108.0 . . ?
C3 C2 H2A 109.4 . . ?
C3 C2 H2B 109.4 . . ?
C2 C3 H3A 109.3 . . ?
C2 C3 H3B 109.3 . . ?
H3A C3 H3B 107.9 . . ?
C4 C3 C2 111.8(2) . . ?
C4 C3 H3A 109.3 . . ?
C4 C3 H3B 109.3 . . ?
C3 C4 H4A 109.3 . . ?
C3 C4 H4B 109.3 . . ?
H4A C4 H4B 107.9 . . ?
C5 C4 C3 111.77(18) . . ?
C5 C4 H4A 109.3 . . ?
C5 C4 H4B 109.3 . . ?
C4 C5 H5A 109.4 . . ?
C4 C5 H5B 109.4 . . ?
C4 C5 C6 111.3(2) . . ?
H5A C5 H5B 108.0 . . ?
C6 C5 H5A 109.4 . . ?
C6 C5 H5B 109.4 . . ?
C1 C6 H6A 109.6 . . ?
C1 C6 H6B 109.6 . . ?
C5 C6 C1 110.27(18) . . ?
C5 C6 H6A 109.6 . . ?
C5 C6 H6B 109.6 . . ?
H6A C6 H6B 108.1 . . ?
N1 C7 S1 122.57(13) . . ?
N1 C7 C1 115.01(13) . . ?
C1 C7 S1 122.38(11) . . ?
N1 C8 H8 109.5 . . ?
N1 C8 C9 112.55(15) . . ?
N1 C8 C13 112.50(13) . . ?
C9 C8 H8 109.5 . . ?
C9 C8 C13 103.06(14) . . ?
C13 C8 H8 109.5 . . ?
C8 C9 H9 115.2 . . ?
C8 C9 C14 102.00(14) . . ?
C10 C9 C8 106.23(17) . . ?
C10 C9 H9 115.2 . . ?
C10 C9 C14 101.35(15) . . ?
C14 C9 H9 115.2 . . ?
C9 C10 H10A 111.1 . . ?
C9 C10 H10B 111.1 . . ?
C9 C10 C11 103.21(15) . . ?
H10A C10 H10B 109.1 . . ?
C11 C10 H10A 111.1 . . ?
C11 C10 H10B 111.1 . . ?
C10 C11 H11A 111.1 . . ?
C10 C11 H11B 111.1 . . ?
H11A C11 H11B 109.0 . . ?
C12 C11 C10 103.43(16) . . ?
C12 C11 H11A 111.1 . . ?
C12 C11 H11B 111.1 . . ?
C11 C12 H12 114.6 . . ?
C13 C12 C11 109.20(16) . . ?
C13 C12 H12 114.6 . . ?
C13 C12 C14 99.99(15) . . ?
C14 C12 C11 102.18(17) . . ?
C14 C12 H12 114.6 . . ?
C8 C13 H13A 111.1 . . ?
C8 C13 H13B 111.1 . . ?
C12 C13 C8 103.43(15) . . ?
C12 C13 H13A 111.1 . . ?
C12 C13 H13B 111.1 . . ?
H13A C13 H13B 109.0 . . ?
C9 C14 H14A 112.9 . . ?
C9 C14 H14B 112.9 . . ?
C12 C14 C9 94.38(16) . . ?
C12 C14 H14A 112.9 . . ?
C12 C14 H14B 112.9 . . ?
H14A C14 H14B 110.3 . . ?
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 C7 1.6832(16) . ?
N1 H1 0.8800 . ?
N1 C7 1.321(2) . ?
N1 C8 1.460(2) . ?
C1 H1A 1.0000 . ?
C1 C2 1.524(2) . ?
C1 C6 1.532(2) . ?
C1 C7 1.518(2) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.535(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.514(4) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.514(4) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.530(3) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C8 H8 1.0000 . ?
C8 C9 1.544(2) . ?
C8 C13 1.547(2) . ?
C9 H9 1.0000 . ?
C9 C10 1.530(3) . ?
C9 C14 1.549(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.549(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.544(3) . ?
C12 H12 1.0000 . ?
C12 C13 1.524(3) . ?
C12 C14 1.530(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
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
N1 C8 C9 C10 -161.55(14) . . . . ?
N1 C8 C9 C14 92.69(17) . . . . ?
N1 C8 C13 C12 -129.21(16) . . . . ?
C1 C2 C3 C4 -54.1(3) . . . . ?
C2 C1 C6 C5 -56.8(2) . . . . ?
C2 C1 C7 S1 -54.4(2) . . . . ?
C2 C1 C7 N1 127.74(17) . . . . ?
C2 C3 C4 C5 54.2(3) . . . . ?
C3 C4 C5 C6 -55.6(3) . . . . ?
C4 C5 C6 C1 56.5(2) . . . . ?
C6 C1 C2 C3 55.5(2) . . . . ?
C6 C1 C7 S1 69.90(17) . . . . ?
C6 C1 C7 N1 -107.97(17) . . . . ?
C7 N1 C8 C9 88.9(2) . . . . ?
C7 N1 C8 C13 -155.17(16) . . . . ?
C7 C1 C2 C3 179.06(18) . . . . ?
C7 C1 C6 C5 178.22(16) . . . . ?
C8 N1 C7 S1 -0.2(2) . . . . ?
C8 N1 C7 C1 177.62(15) . . . . ?
C8 C9 C10 C11 -69.07(19) . . . . ?
C8 C9 C14 C12 53.42(17) . . . . ?
C9 C8 C13 C12 -7.73(19) . . . . ?
C9 C10 C11 C12 -3.0(2) . . . . ?
C10 C9 C14 C12 -56.10(17) . . . . ?
C10 C11 C12 C13 72.5(2) . . . . ?
C10 C11 C12 C14 -32.72(19) . . . . ?
C11 C12 C13 C8 -64.8(2) . . . . ?
C11 C12 C14 C9 54.07(16) . . . . ?
C13 C8 C9 C10 77.00(17) . . . . ?
C13 C8 C9 C14 -28.75(18) . . . . ?
C13 C12 C14 C9 -58.24(16) . . . . ?
C14 C9 C10 C11 37.16(19) . . . . ?
C14 C12 C13 C8 41.93(18) . . . . ?
