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#$Date: 2025-04-05 05:48:08 +0300 (Sat, 05 Apr 2025) $
#$Revision: 298876 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/74/7717467.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_7717467
loop_
_publ_author_name
'Sai Kumar, Gobbilla'
'Bano, Kulsum'
'Biswal, Priyabrata'
'Dey, Soumyadip'
'Kumar, Ravi'
'Sau, Abhijit'
'Chandrasekhar, Vadapalli'
'Panda, Tarun K.'
_publ_section_title
;
 Indium-catalyzed hydrosilylation of nitroarenes to aromatic amines.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1552
_journal_page_last               1559
_journal_paper_doi               10.1039/d4dt02861a
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'C18 H22 Cl2 In N2 O P S'
_chemical_formula_weight         531.12
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-07-28 deposited with the CCDC.	2024-11-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 112.329(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.0292(11)
_cell_length_b                   7.9555(4)
_cell_length_c                   14.0135(6)
_cell_measurement_reflns_used    19543
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.169
_cell_measurement_theta_min      2.979
_cell_volume                     2168.64(19)
_computing_cell_refinement
'CrysAlisPro, Agilent Technologies,Version 1.171.35.19 (release 27-10-2011CrysAlis171 .NET)(compiled Oct 27'
_computing_data_collection
'CrysAlisPro, Agilent Technologies,Version 1.171.35.19 (release 27-10-2011CrysAlis171 .NET)(compiled Oct 27'
_computing_data_reduction
'CrysAlisPro, Agilent Technologies,Version 1.171.35.19 (release 27-10-2011CrysAlis171 .NET)(compiled Oct 27'
_computing_molecular_graphics    'ORTEP 3.0 & Olex 2.1'
_computing_publication_material  WinGX
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  Bruker
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0517
_diffrn_reflns_av_unetI/netI     0.0442
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19543
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.169
_diffrn_reflns_theta_min         2.979
_diffrn_source                   'Bruker (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.516
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.651
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_description       plates
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.819
_refine_diff_density_min         -0.723
_refine_diff_density_rms         0.066
_refine_ls_abs_structure_details
;
 Flack x determined using 2000 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.03(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         4746
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0320
_refine_ls_R_factor_gt           0.0289
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0376P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0677
_refine_ls_wR_factor_ref         0.0688
_reflns_Friedel_coverage         0.979
_reflns_Friedel_fraction_full    0.989
_reflns_Friedel_fraction_max     0.975
_reflns_number_gt                4402
_reflns_number_total             4746
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt02861a2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7717466--7717468.cif.'
_cod_original_cell_volume        2168.64(18)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7717467
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, 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_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
In1 In 0.58622(4) 0.49724(3) 0.62098(5) 0.03249(10) Uani 1 1 d . . . . .
S1 S 0.49699(6) 0.72701(16) 0.64333(9) 0.0462(3) Uani 1 1 d . . . . .
P1 P 0.44640(5) 0.64260(13) 0.49979(7) 0.0319(2) Uani 1 1 d . . . . .
Cl1 Cl 0.58610(7) 0.29901(17) 0.74799(9) 0.0569(3) Uani 1 1 d . . . . .
Cl2 Cl 0.68520(7) 0.66762(19) 0.68305(12) 0.0670(4) Uani 1 1 d . . . . .
O1 O 0.74862(18) 0.2351(5) 0.5527(3) 0.0607(10) Uani 1 1 d . . . . .
N1 N 0.5017(2) 0.5205(4) 0.4799(3) 0.0338(9) Uani 1 1 d . . . . .
N2 N 0.60526(18) 0.2868(4) 0.5120(3) 0.0341(7) Uani 1 1 d . . . . .
C1 C 0.4884(2) 0.3906(6) 0.4017(3) 0.0449(11) Uani 1 1 d . . . . .
H1A H 0.499448 0.432105 0.344703 0.054 Uiso 1 1 calc R U . . .
H1B H 0.440216 0.359670 0.375324 0.054 Uiso 1 1 calc R U . . .
C2 C 0.5325(2) 0.2387(6) 0.4499(4) 0.0447(10) Uani 1 1 d . . . . .
H2A H 0.513464 0.181060 0.493983 0.054 Uiso 1 1 calc R U . . .
H2B H 0.531593 0.161421 0.395812 0.054 Uiso 1 1 calc R U . . .
C3 C 0.6379(3) 0.3501(7) 0.4422(4) 0.0461(11) Uani 1 1 d . . . . .
H3A H 0.615868 0.454183 0.410587 0.055 Uiso 1 1 calc R U . . .
H3B H 0.631409 0.268824 0.387697 0.055 Uiso 1 1 calc R U . . .
C4 C 0.7141(3) 0.3805(7) 0.5003(5) 0.0577(13) Uani 1 1 d . . . . .
H4A H 0.734444 0.416519 0.452083 0.069 Uiso 1 1 calc R U . . .
H4B H 0.720311 0.470291 0.549898 0.069 Uiso 1 1 calc R U . . .
C5 C 0.7183(3) 0.1772(7) 0.6212(4) 0.0560(13) Uani 1 1 d . . . . .
H5A H 0.722495 0.263437 0.672204 0.067 Uiso 1 1 calc R U . . .
H5B H 0.742703 0.078256 0.657241 0.067 Uiso 1 1 calc R U . . .
C6 C 0.6433(3) 0.1344(6) 0.5645(4) 0.0441(10) Uani 1 1 d . . . . .
H6A H 0.638754 0.047092 0.514049 0.053 Uiso 1 1 calc R U . . .
H6B H 0.624078 0.092649 0.612897 0.053 Uiso 1 1 calc R U . . .
C7 C 0.4199(2) 0.8104(5) 0.4071(3) 0.0339(8) Uani 1 1 d . . . . .
C8 C 0.4443(3) 0.8176(6) 0.3278(4) 0.0424(10) Uani 1 1 d . . . . .
H8 H 0.475605 0.737494 0.324337 0.051 Uiso 1 1 calc R U . . .
C9 C 0.4225(3) 0.9423(7) 0.2543(4) 0.0517(12) Uani 1 1 d . . . . .
H9 H 0.438638 0.944906 0.201094 0.062 Uiso 1 1 calc R U . . .
C10 C 0.3770(3) 1.0628(7) 0.2591(4) 0.0544(13) Uani 1 1 d . . . . .
H10 H 0.362282 1.146714 0.209245 0.065 Uiso 1 1 calc R U . . .
C11 C 0.3534(3) 1.0584(9) 0.3385(5) 0.0567(14) Uani 1 1 d . . . . .
H11 H 0.322677 1.139876 0.341999 0.068 Uiso 1 1 calc R U . . .
C12 C 0.3751(3) 0.9338(7) 0.4132(5) 0.0484(11) Uani 1 1 d . . . . .
H12 H 0.359691 0.933045 0.467209 0.058 Uiso 1 1 calc R U . . .
C13 C 0.3684(3) 0.5301(6) 0.4837(4) 0.0381(10) Uani 1 1 d . . . . .
C14 C 0.3688(3) 0.4190(7) 0.5610(4) 0.0536(13) Uani 1 1 d . . . . .
H14 H 0.408323 0.407008 0.620190 0.064 Uiso 1 1 calc R U . . .
C15 C 0.3106(3) 0.3266(7) 0.5498(5) 0.0632(15) Uani 1 1 d . . . . .
H15 H 0.310871 0.253661 0.601821 0.076 Uiso 1 1 calc R U . . .
C16 C 0.2526(3) 0.3426(6) 0.4620(5) 0.0536(13) Uani 1 1 d . . . . .
H16 H 0.213777 0.279467 0.454651 0.064 Uiso 1 1 calc R U . . .
C17 C 0.2510(3) 0.4503(7) 0.3853(4) 0.0474(11) Uani 1 1 d . . . . .
H17 H 0.211197 0.460767 0.326428 0.057 Uiso 1 1 calc R U . . .
C18 C 0.3094(3) 0.5451(8) 0.3952(5) 0.0423(11) Uani 1 1 d . . . . .
H18 H 0.308624 0.617488 0.342617 0.051 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
In In -0.7276 1.3100 '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'
P P 0.1023 0.0942 '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'
O O 0.0106 0.0060 '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'
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'
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 In1 Cl2 127.47(12) . . ?
N1 In1 Cl1 121.36(12) . . ?
Cl2 In1 Cl1 110.93(7) . . ?
N1 In1 N2 75.45(13) . . ?
Cl2 In1 N2 107.38(10) . . ?
Cl1 In1 N2 93.53(9) . . ?
N1 In1 S1 71.11(11) . . ?
Cl2 In1 S1 97.01(5) . . ?
Cl1 In1 S1 99.35(5) . . ?
N2 In1 S1 146.17(9) . . ?
N1 In1 P1 30.89(11) . . ?
Cl2 In1 P1 121.57(5) . . ?
Cl1 In1 P1 113.46(5) . . ?
N2 In1 P1 105.79(9) . . ?
S1 In1 P1 40.45(3) . . ?
P1 S1 In1 77.61(5) . . ?
N1 P1 C7 111.5(2) . . ?
N1 P1 C13 111.1(2) . . ?
C7 P1 C13 105.1(2) . . ?
N1 P1 S1 103.41(17) . . ?
C7 P1 S1 112.19(15) . . ?
C13 P1 S1 113.73(19) . . ?
N1 P1 In1 41.86(16) . . ?
C7 P1 In1 131.35(14) . . ?
C13 P1 In1 121.72(17) . . ?
S1 P1 In1 61.94(4) . . ?
C4 O1 C5 110.1(4) . . ?
C1 N1 P1 127.7(3) . . ?
C1 N1 In1 119.8(3) . . ?
P1 N1 In1 107.2(2) . . ?
C3 N2 C6 108.0(4) . . ?
C3 N2 C2 109.4(4) . . ?
C6 N2 C2 108.6(3) . . ?
C3 N2 In1 114.5(3) . . ?
C6 N2 In1 116.3(3) . . ?
C2 N2 In1 99.7(3) . . ?
N1 C1 C2 108.7(4) . . ?
N1 C1 H1A 110.0 . . ?
C2 C1 H1A 110.0 . . ?
N1 C1 H1B 110.0 . . ?
C2 C1 H1B 110.0 . . ?
H1A C1 H1B 108.3 . . ?
N2 C2 C1 111.9(4) . . ?
N2 C2 H2A 109.2 . . ?
C1 C2 H2A 109.2 . . ?
N2 C2 H2B 109.2 . . ?
C1 C2 H2B 109.2 . . ?
H2A C2 H2B 107.9 . . ?
N2 C3 C4 111.1(4) . . ?
N2 C3 H3A 109.4 . . ?
C4 C3 H3A 109.4 . . ?
N2 C3 H3B 109.4 . . ?
C4 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
O1 C4 C3 112.2(4) . . ?
O1 C4 H4A 109.2 . . ?
C3 C4 H4A 109.2 . . ?
O1 C4 H4B 109.2 . . ?
C3 C4 H4B 109.2 . . ?
H4A C4 H4B 107.9 . . ?
O1 C5 C6 111.4(4) . . ?
O1 C5 H5A 109.3 . . ?
C6 C5 H5A 109.3 . . ?
O1 C5 H5B 109.3 . . ?
C6 C5 H5B 109.3 . . ?
H5A C5 H5B 108.0 . . ?
N2 C6 C5 109.6(4) . . ?
N2 C6 H6A 109.8 . . ?
C5 C6 H6A 109.8 . . ?
N2 C6 H6B 109.8 . . ?
C5 C6 H6B 109.8 . . ?
H6A C6 H6B 108.2 . . ?
C12 C7 C8 119.1(4) . . ?
C12 C7 P1 120.8(4) . . ?
C8 C7 P1 120.1(3) . . ?
C9 C8 C7 120.5(5) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C10 C9 C8 120.5(5) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 C11 119.4(5) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C10 C11 C12 120.7(6) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
C7 C12 C11 119.7(5) . . ?
C7 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C18 C13 C14 119.3(5) . . ?
C18 C13 P1 122.0(4) . . ?
C14 C13 P1 118.7(4) . . ?
C15 C14 C13 120.3(5) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C16 C15 C14 119.9(5) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C17 C16 C15 120.8(5) . . ?
C17 C16 H16 119.6 . . ?
C15 C16 H16 119.6 . . ?
C16 C17 C18 120.1(5) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C13 C18 C17 119.5(5) . . ?
C13 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
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
In1 N1 2.105(4) . ?
In1 Cl2 2.3559(14) . ?
In1 Cl1 2.3787(13) . ?
In1 N2 2.401(4) . ?
In1 S1 2.7216(13) . ?
In1 P1 3.0121(13) . ?
S1 P1 2.0008(16) . ?
P1 N1 1.619(4) . ?
P1 C7 1.797(4) . ?
P1 C13 1.807(5) . ?
O1 C4 1.414(7) . ?
O1 C5 1.417(7) . ?
N1 C1 1.454(6) . ?
N2 C3 1.479(6) . ?
N2 C6 1.484(6) . ?
N2 C2 1.494(6) . ?
C1 C2 1.517(7) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.517(8) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.511(8) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C12 1.385(7) . ?
C7 C8 1.391(6) . ?
C8 C9 1.377(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.373(10) . ?
C9 H9 0.9300 . ?
C10 C11 1.381(9) . ?
C10 H10 0.9300 . ?
C11 C12 1.387(9) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C18 1.387(8) . ?
C13 C14 1.394(8) . ?
C14 C15 1.385(8) . ?
C14 H14 0.9300 . ?
C15 C16 1.370(9) . ?
C15 H15 0.9300 . ?
C16 C17 1.365(8) . ?
C16 H16 0.9300 . ?
C17 C18 1.402(8) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C5 H5A Cl1 0.97 3.43 3.947(6) 115.7 . yes
C5 H5A Cl1 0.97 3.43 3.947(6) 115.7 . yes
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
C7 P1 N1 C1 -77.5(5) . . . . ?
C13 P1 N1 C1 39.4(5) . . . . ?
S1 P1 N1 C1 161.7(4) . . . . ?
In1 P1 N1 C1 153.9(5) . . . . ?
C7 P1 N1 In1 128.6(2) . . . . ?
C13 P1 N1 In1 -114.5(2) . . . . ?
S1 P1 N1 In1 7.9(2) . . . . ?
P1 N1 C1 C2 -138.7(4) . . . . ?
In1 N1 C1 C2 12.3(5) . . . . ?
C3 N2 C2 C1 -67.8(5) . . . . ?
C6 N2 C2 C1 174.6(4) . . . . ?
In1 N2 C2 C1 52.5(4) . . . . ?
N1 C1 C2 N2 -46.8(6) . . . . ?
C6 N2 C3 C4 -55.1(5) . . . . ?
C2 N2 C3 C4 -173.1(4) . . . . ?
In1 N2 C3 C4 76.1(4) . . . . ?
C5 O1 C4 C3 -57.0(6) . . . . ?
N2 C3 C4 O1 56.1(6) . . . . ?
C4 O1 C5 C6 59.7(6) . . . . ?
C3 N2 C6 C5 57.2(5) . . . . ?
C2 N2 C6 C5 175.7(4) . . . . ?
In1 N2 C6 C5 -73.0(5) . . . . ?
O1 C5 C6 N2 -60.8(5) . . . . ?
N1 P1 C7 C12 -177.0(4) . . . . ?
C13 P1 C7 C12 62.6(4) . . . . ?
S1 P1 C7 C12 -61.5(4) . . . . ?
In1 P1 C7 C12 -133.0(3) . . . . ?
N1 P1 C7 C8 3.1(4) . . . . ?
C13 P1 C7 C8 -117.3(4) . . . . ?
S1 P1 C7 C8 118.6(3) . . . . ?
In1 P1 C7 C8 47.1(4) . . . . ?
C12 C7 C8 C9 -2.2(7) . . . . ?
P1 C7 C8 C9 177.7(4) . . . . ?
C7 C8 C9 C10 0.9(8) . . . . ?
C8 C9 C10 C11 0.2(9) . . . . ?
C9 C10 C11 C12 0.0(10) . . . . ?
C8 C7 C12 C11 2.3(8) . . . . ?
P1 C7 C12 C11 -177.6(5) . . . . ?
C10 C11 C12 C7 -1.3(10) . . . . ?
N1 P1 C13 C18 -101.9(5) . . . . ?
C7 P1 C13 C18 18.8(5) . . . . ?
S1 P1 C13 C18 141.9(4) . . . . ?
In1 P1 C13 C18 -147.5(4) . . . . ?
N1 P1 C13 C14 75.0(5) . . . . ?
C7 P1 C13 C14 -164.3(4) . . . . ?
S1 P1 C13 C14 -41.2(5) . . . . ?
In1 P1 C13 C14 29.4(5) . . . . ?
C18 C13 C14 C15 -0.9(8) . . . . ?
P1 C13 C14 C15 -177.9(4) . . . . ?
C13 C14 C15 C16 0.8(9) . . . . ?
C14 C15 C16 C17 -0.6(9) . . . . ?
C15 C16 C17 C18 0.6(9) . . . . ?
C14 C13 C18 C17 0.9(8) . . . . ?
P1 C13 C18 C17 177.8(4) . . . . ?
C16 C17 C18 C13 -0.7(9) . . . . ?
