#------------------------------------------------------------------------------
#$Date: 2023-11-05 14:48:59 +0200 (Sun, 05 Nov 2023) $
#$Revision: 287280 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/96/7159630.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_7159630
loop_
_publ_author_name
'Konovalov, Aleksandr V.'
'Churusova, Svetlana G.'
'Aleksanyan, Diana V.'
'Rybalkina, Ekaterina Yu'
'Aksenova, Svetlana A.'
'Peregudov, Alexander S.'
'Klemenkova, Zinaida S.'
'Kozlov, Vladimir A.'
_publ_section_title
;
 (Aminoalkyl)diphenylphosphine sulfides: synthesis and application as
 building blocks in the design of multidentate ligands for cytotoxic
 Pd(II) complexes.
;
_journal_issue                   41
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              8379
_journal_page_last               8392
_journal_paper_doi               10.1039/d3ob01309j
_journal_volume                  21
_journal_year                    2023
_chemical_formula_moiety         'C25 H21 N2 O P S'
_chemical_formula_sum            'C25 H21 N2 O P S'
_chemical_formula_weight         428.47
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2023-05-15
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2023-05-16 deposited with the CCDC.	2023-09-28 downloaded from the CCDC.
;
_cell_angle_alpha                104.5460(10)
_cell_angle_beta                 100.9210(10)
_cell_angle_gamma                104.4390(10)
_cell_formula_units_Z            2
_cell_length_a                   9.8186(3)
_cell_length_b                   10.1013(3)
_cell_length_c                   12.0509(3)
_cell_measurement_reflns_used    9984
_cell_measurement_temperature    100
_cell_measurement_theta_max      30.59
_cell_measurement_theta_min      2.22
_cell_volume                     1079.09(5)
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.00
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Quest D8'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0161
_diffrn_reflns_av_unetI/netI     0.0203
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12846
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.999
_diffrn_reflns_theta_min         1.813
_exptl_absorpt_coefficient_mu    0.244
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.7022
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1072 before and 0.0362 after correction.
The Ratio of minimum to maximum transmission is 0.9412.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.319
_exptl_crystal_description       prism
_exptl_crystal_F_000             448
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.419
_refine_diff_density_min         -0.239
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         5164
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0298
_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)+(0.0350P)²+0.5480P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0771
_refine_ls_wR_factor_ref         0.0786
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4840
_reflns_number_total             5164
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3ob01309j2.cif
_cod_data_source_block           6
_cod_database_code               7159630
_shelxl_version_number           2014/6
_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   0.953
_shelx_estimated_absorpt_t_min   0.939
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Riding coordinates:
 N2(H2)
2.b Ternary CH refined with riding coordinates:
 C7(H7)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C11(H11), C9(H9), C5(H5), C22(H22), C16(H16), C18(H18), C2(H2A),
 C3(H3), C21(H21), C15(H15), C17(H17), C25(H25), C23(H23), C13(H13), C24(H24),
 C12(H12), C19(H19), C10(H10)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_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 0.81894(3) 0.74584(3) 0.46344(2) 0.02197(8) Uani 1 1 d . . . . .
P1 P 0.79932(3) 0.66583(3) 0.29368(2) 0.01459(7) Uani 1 1 d . . . . .
O1 O 0.37996(9) 0.58729(9) 0.06689(7) 0.01968(17) Uani 1 1 d . . . . .
N2 N 0.51728(10) 0.62409(10) 0.25263(8) 0.01636(19) Uani 1 1 d . . . . .
H2 H 0.5367 0.6793 0.3329 0.020 Uiso 1 1 d R U . . .
N1 N 0.38224(11) 0.80225(10) 0.35024(9) 0.01858(19) Uani 1 1 d . . . . .
C4 C 0.21819(13) 0.94131(13) 0.33514(12) 0.0251(3) Uani 1 1 d . . . . .
H4 H 0.1751 1.0072 0.3744 0.030 Uiso 1 1 calc R U . . .
C11 C 1.12557(13) 0.41668(13) 0.22809(12) 0.0225(2) Uani 1 1 d . . . . .
H11 H 1.1935 0.3657 0.2155 0.027 Uiso 1 1 calc R U . . .
C9 C 1.02793(13) 0.56303(13) 0.36143(11) 0.0214(2) Uani 1 1 d . . . . .
H9 H 1.0294 0.6121 0.4402 0.026 Uiso 1 1 calc R U . . .
C5 C 0.31823(13) 0.89491(13) 0.40030(11) 0.0226(2) Uani 1 1 d . . . . .
H5 H 0.3425 0.9307 0.4847 0.027 Uiso 1 1 calc R U . . .
C22 C 0.53202(17) 0.25517(14) 0.36909(12) 0.0307(3) Uani 1 1 d . . . . .
H22 H 0.5120 0.2467 0.4415 0.037 Uiso 1 1 calc R U . . .
C16 C 0.79675(13) 0.87104(13) 0.03890(11) 0.0227(2) Uani 1 1 d . . . . .
H16 H 0.7697 0.8457 -0.0455 0.027 Uiso 1 1 calc R U . . .
C6 C 0.41474(12) 0.64636(11) 0.17492(10) 0.0146(2) Uani 1 1 d . . . . .
C18 C 0.89248(13) 1.05324(13) 0.23112(12) 0.0234(2) Uani 1 1 d . . . . .
H18 H 0.9312 1.1519 0.2779 0.028 Uiso 1 1 calc R U . . .
C20 C 0.58274(12) 0.39921(12) 0.24077(10) 0.0156(2) Uani 1 1 d . . . . .
C8 C 0.92646(12) 0.56653(11) 0.26471(10) 0.0156(2) Uani 1 1 d . . . . .
C14 C 0.81786(12) 0.80167(12) 0.21772(10) 0.0163(2) Uani 1 1 d . . . . .
C2 C 0.24614(12) 0.79304(12) 0.15870(10) 0.0198(2) Uani 1 1 d . . . . .
H2A H 0.2234 0.7554 0.0745 0.024 Uiso 1 1 calc R U . . .
C1 C 0.34429(12) 0.75206(11) 0.23113(10) 0.0150(2) Uani 1 1 d . . . . .
C3 C 0.18206(13) 0.89026(13) 0.21218(12) 0.0243(3) Uani 1 1 d . . . . .
H3 H 0.1148 0.9212 0.1654 0.029 Uiso 1 1 calc R U . . .
C7 C 0.61105(12) 0.54120(11) 0.21526(9) 0.0144(2) Uani 1 1 d . . . . .
H7 H 0.5971 0.5217 0.1276 0.017 Uiso 1 1 calc R U . . .
C21 C 0.55273(15) 0.38627(13) 0.34665(11) 0.0241(2) Uani 1 1 d . . . . .
H21 H 0.5464 0.4671 0.4036 0.029 Uiso 1 1 calc R U . . .
C15 C 0.77785(13) 0.76391(12) 0.09341(10) 0.0189(2) Uani 1 1 d . . . . .
H15 H 0.7379 0.6655 0.0463 0.023 Uiso 1 1 calc R U . . .
C17 C 0.85523(14) 1.01521(13) 0.10791(12) 0.0244(3) Uani 1 1 d . . . . .
H17 H 0.8697 1.0879 0.0705 0.029 Uiso 1 1 calc R U . . .
C25 C 0.58877(12) 0.27920(12) 0.15700(10) 0.0186(2) Uani 1 1 d . . . . .
H25 H 0.6074 0.2867 0.0839 0.022 Uiso 1 1 calc R U . . .
C23 C 0.54056(15) 0.13708(13) 0.28601(12) 0.0265(3) Uani 1 1 d . . . . .
H23 H 0.5278 0.0480 0.3020 0.032 Uiso 1 1 calc R U . . .
C13 C 0.92527(12) 0.49413(12) 0.14921(10) 0.0182(2) Uani 1 1 d . . . . .
H13 H 0.8565 0.4957 0.0829 0.022 Uiso 1 1 calc R U . . .
C24 C 0.56758(13) 0.14832(13) 0.17983(11) 0.0224(2) Uani 1 1 d . . . . .
H24 H 0.5717 0.0666 0.1224 0.027 Uiso 1 1 calc R U . . .
C12 C 1.02489(13) 0.41970(13) 0.13143(11) 0.0208(2) Uani 1 1 d . . . . .
H12 H 1.0241 0.3707 0.0528 0.025 Uiso 1 1 calc R U . . .
C19 C 0.87305(12) 0.94685(12) 0.28613(11) 0.0192(2) Uani 1 1 d . . . . .
H19 H 0.8974 0.9730 0.3705 0.023 Uiso 1 1 calc R U . . .
C10 C 1.12676(14) 0.48801(14) 0.34269(12) 0.0252(3) Uani 1 1 d . . . . .
H10 H 1.1954 0.4857 0.4087 0.030 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 0.0033 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'
P P 0.1023 0.0942 '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
C8 P1 S1 112.75(4) . . ?
C8 P1 C14 109.27(5) . . ?
C8 P1 C7 107.76(5) . . ?
C14 P1 S1 112.92(4) . . ?
C14 P1 C7 102.94(5) . . ?
C7 P1 S1 110.64(4) . . ?
C6 N2 H2 115.7 . . ?
C6 N2 C7 122.61(9) . . ?
C7 N2 H2 120.8 . . ?
C5 N1 C1 116.99(10) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
C3 C4 C5 118.99(11) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 119.91(11) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 H9 119.9 . . ?
C10 C9 C8 120.17(11) . . ?
N1 C5 C4 123.26(11) . . ?
N1 C5 H5 118.4 . . ?
C4 C5 H5 118.4 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C23 C22 C21 120.06(12) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C17 C16 C15 120.05(11) . . ?
O1 C6 N2 124.03(10) . . ?
O1 C6 C1 121.74(10) . . ?
N2 C6 C1 114.23(9) . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 119.93(11) . . ?
C19 C18 H18 120.0 . . ?
C21 C20 C7 121.56(10) . . ?
C25 C20 C7 119.09(10) . . ?
C25 C20 C21 119.35(10) . . ?
C9 C8 P1 118.57(9) . . ?
C13 C8 P1 121.97(8) . . ?
C13 C8 C9 119.47(10) . . ?
C15 C14 P1 121.68(8) . . ?
C19 C14 P1 118.70(9) . . ?
C19 C14 C15 119.62(10) . . ?
C1 C2 H2A 120.8 . . ?
C3 C2 H2A 120.8 . . ?
C3 C2 C1 118.37(11) . . ?
N1 C1 C6 116.97(9) . . ?
N1 C1 C2 123.79(10) . . ?
C2 C1 C6 119.23(10) . . ?
C4 C3 C2 118.57(11) . . ?
C4 C3 H3 120.7 . . ?
C2 C3 H3 120.7 . . ?
P1 C7 H7 108.5 . . ?
N2 C7 P1 103.98(7) . . ?
N2 C7 C20 114.32(9) . . ?
N2 C7 H7 108.5 . . ?
C20 C7 P1 112.88(7) . . ?
C20 C7 H7 108.5 . . ?
C22 C21 C20 120.12(12) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C16 C15 C14 119.83(11) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.31(11) . . ?
C18 C17 H17 119.8 . . ?
C20 C25 H25 119.9 . . ?
C24 C25 C20 120.25(11) . . ?
C24 C25 H25 119.9 . . ?
C22 C23 H23 119.9 . . ?
C24 C23 C22 120.18(11) . . ?
C24 C23 H23 119.9 . . ?
C8 C13 H13 120.0 . . ?
C12 C13 C8 119.90(10) . . ?
C12 C13 H13 120.0 . . ?
C25 C24 H24 120.0 . . ?
C23 C24 C25 120.03(11) . . ?
C23 C24 H24 120.0 . . ?
C11 C12 C13 120.32(11) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 H12 119.8 . . ?
C18 C19 C14 120.22(11) . . ?
C18 C19 H19 119.9 . . ?
C14 C19 H19 119.9 . . ?
C11 C10 C9 120.23(11) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
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 P1 1.9540(4) . ?
P1 C8 1.8166(11) . ?
P1 C14 1.8230(11) . ?
P1 C7 1.8641(11) . ?
O1 C6 1.2277(13) . ?
N2 H2 0.9433 . ?
N2 C6 1.3427(14) . ?
N2 C7 1.4504(13) . ?
N1 C5 1.3373(15) . ?
N1 C1 1.3393(14) . ?
C4 H4 0.9500 . ?
C4 C5 1.3869(18) . ?
C4 C3 1.3832(18) . ?
C11 H11 0.9500 . ?
C11 C12 1.3899(17) . ?
C11 C10 1.3843(19) . ?
C9 H9 0.9500 . ?
C9 C8 1.3967(15) . ?
C9 C10 1.3895(17) . ?
C5 H5 0.9500 . ?
C22 H22 0.9500 . ?
C22 C21 1.3909(17) . ?
C22 C23 1.3836(19) . ?
C16 H16 0.9500 . ?
C16 C15 1.3928(16) . ?
C16 C17 1.3913(18) . ?
C6 C1 1.5034(14) . ?
C18 H18 0.9500 . ?
C18 C17 1.3870(19) . ?
C18 C19 1.3908(16) . ?
C20 C7 1.5113(14) . ?
C20 C21 1.3924(16) . ?
C20 C25 1.3914(15) . ?
C8 C13 1.3967(16) . ?
C14 C15 1.3998(16) . ?
C14 C19 1.3968(15) . ?
C2 H2A 0.9500 . ?
C2 C1 1.3869(15) . ?
C2 C3 1.3855(16) . ?
C3 H3 0.9500 . ?
C7 H7 1.0000 . ?
C21 H21 0.9500 . ?
C15 H15 0.9500 . ?
C17 H17 0.9500 . ?
C25 H25 0.9500 . ?
C25 C24 1.3907(16) . ?
C23 H23 0.9500 . ?
C23 C24 1.3809(18) . ?
C13 H13 0.9500 . ?
C13 C12 1.3904(16) . ?
C24 H24 0.9500 . ?
C12 H12 0.9500 . ?
C19 H19 0.9500 . ?
C10 H10 0.9500 . ?
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
S1 P1 C8 C9 -3.48(10) . . . . ?
S1 P1 C8 C13 176.47(8) . . . . ?
S1 P1 C14 C15 -166.53(8) . . . . ?
S1 P1 C14 C19 13.25(10) . . . . ?
S1 P1 C7 N2 50.81(7) . . . . ?
S1 P1 C7 C20 -73.64(8) . . . . ?
P1 C8 C13 C12 179.91(9) . . . . ?
P1 C14 C15 C16 -178.61(9) . . . . ?
P1 C14 C19 C18 178.19(9) . . . . ?
O1 C6 C1 N1 175.17(10) . . . . ?
O1 C6 C1 C2 -5.37(16) . . . . ?
N2 C6 C1 N1 -5.09(14) . . . . ?
N2 C6 C1 C2 174.36(10) . . . . ?
C9 C8 C13 C12 -0.15(17) . . . . ?
C5 N1 C1 C6 -179.19(10) . . . . ?
C5 N1 C1 C2 1.38(17) . . . . ?
C5 C4 C3 C2 0.77(19) . . . . ?
C22 C23 C24 C25 1.1(2) . . . . ?
C6 N2 C7 P1 125.01(9) . . . . ?
C6 N2 C7 C20 -111.47(11) . . . . ?
C20 C25 C24 C23 -0.06(18) . . . . ?
C8 P1 C14 C15 67.13(10) . . . . ?
C8 P1 C14 C19 -113.09(9) . . . . ?
C8 P1 C7 N2 174.49(7) . . . . ?
C8 P1 C7 C20 50.03(9) . . . . ?
C8 C9 C10 C11 0.20(19) . . . . ?
C8 C13 C12 C11 0.15(17) . . . . ?
C14 P1 C8 C9 122.97(9) . . . . ?
C14 P1 C8 C13 -57.08(10) . . . . ?
C14 P1 C7 N2 -70.10(8) . . . . ?
C14 P1 C7 C20 165.45(8) . . . . ?
C1 N1 C5 C4 -0.92(18) . . . . ?
C1 C2 C3 C4 -0.36(18) . . . . ?
C3 C4 C5 N1 -0.1(2) . . . . ?
C3 C2 C1 N1 -0.76(18) . . . . ?
C3 C2 C1 C6 179.83(10) . . . . ?
C7 P1 C8 C9 -125.86(9) . . . . ?
C7 P1 C8 C13 54.08(10) . . . . ?
C7 P1 C14 C15 -47.19(10) . . . . ?
C7 P1 C14 C19 132.59(9) . . . . ?
C7 N2 C6 O1 8.07(17) . . . . ?
C7 N2 C6 C1 -171.65(9) . . . . ?
C7 C20 C21 C22 -177.84(12) . . . . ?
C7 C20 C25 C24 178.03(10) . . . . ?
C21 C22 C23 C24 -0.9(2) . . . . ?
C21 C20 C7 P1 78.37(12) . . . . ?
C21 C20 C7 N2 -40.22(15) . . . . ?
C21 C20 C25 C24 -1.14(17) . . . . ?
C15 C16 C17 C18 -1.20(19) . . . . ?
C15 C14 C19 C18 -2.02(17) . . . . ?
C17 C16 C15 C14 -0.02(18) . . . . ?
C17 C18 C19 C14 0.82(18) . . . . ?
C25 C20 C7 P1 -100.78(10) . . . . ?
C25 C20 C7 N2 140.64(10) . . . . ?
C25 C20 C21 C22 1.30(19) . . . . ?
C23 C22 C21 C20 -0.3(2) . . . . ?
C12 C11 C10 C9 -0.20(18) . . . . ?
C19 C18 C17 C16 0.79(18) . . . . ?
C19 C14 C15 C16 1.61(17) . . . . ?
C10 C11 C12 C13 0.02(18) . . . . ?
C10 C9 C8 P1 179.92(9) . . . . ?
C10 C9 C8 C13 -0.02(17) . . . . ?
