#------------------------------------------------------------------------------
#$Date: 2021-04-05 17:26:34 +0300 (Mon, 05 Apr 2021) $
#$Revision: 263702 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/00/1560023.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_1560023
loop_
_publ_author_name
'Litle, Elishua D.'
'Wilkins, Lewis C.'
'Gabbaï, François P.'
_publ_section_title
;
 Ligand-enforced intimacy between a gold cation and a carbenium ion:
 impact on stability and reactivity
;
_journal_issue                   11
_journal_name_full               'Chemical Science'
_journal_page_first              3929
_journal_page_last               3936
_journal_paper_doi               10.1039/D0SC05777K
_journal_volume                  12
_journal_year                    2021
_chemical_formula_moiety         'C F3 O3 S, C32 H25 N P'
_chemical_formula_sum            'C33 H25 F3 N O3 P S'
_chemical_formula_weight         603.57
_chemical_name_systematic        C33H25F3NO3PS
_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     direct
_audit_creation_date             2020-10-16
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-10-16 deposited with the CCDC.	2021-01-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.362(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.1620(10)
_cell_length_b                   12.9217(8)
_cell_length_c                   14.4246(9)
_cell_measurement_reflns_used    9225
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      72.21
_cell_measurement_theta_min      4.46
_cell_volume                     2875.2(3)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_diffrn_ambient_temperature      110.01
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0369
_diffrn_reflns_av_unetI/netI     0.0209
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            41983
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.200
_diffrn_reflns_theta_min         2.865
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.005
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.6004
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1006 before and 0.0627 after correction. The Ratio of minimum to maximum transmission is 0.7967. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.394
_exptl_crystal_description       plate
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.283
_exptl_crystal_size_mid          0.189
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.482
_refine_diff_density_min         -0.336
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         5662
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0478
_refine_ls_R_factor_gt           0.0428
_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)+(0.0555P)²+2.5537P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1114
_refine_ls_wR_factor_ref         0.1170
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5067
_reflns_number_total             5662
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc05777k2.cif
_cod_data_source_block           eli52_0ma_a
_cod_depositor_comments
'Adding full bibliography for 1560018--1560030.cif.'
_cod_database_code               1560023
_shelxl_version_number           2013-3
_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   0.781
_shelx_estimated_absorpt_t_min   0.601
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C11(H11), C7(H7), C17(H17), C26(H26), C14(H14), C12(H12), C10(H10), C8(H8),
 C13(H13), C20(H20), C18(H18), C19(H19), C25(H25), C9(H9), C28(H28), C24(H24),
 C22(H22), C23(H23), C29(H29), C32(H32), C30(H30), C31(H31)
2.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C)
;
_olex2_submission_original_sample_id Eli52
_olex2_submission_special_instructions 'No special instructions were received'
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 0.43727(3) 0.75357(3) 0.35534(3) 0.02573(12) Uani 1 1 d . . . . .
P1 P 0.89237(3) 0.72871(4) 0.88320(4) 0.02984(13) Uani 1 1 d . . . . .
F2 F 0.27386(8) 0.72829(11) 0.34643(10) 0.0468(3) Uani 1 1 d . . . . .
F1 F 0.30825(9) 0.88544(10) 0.32713(11) 0.0494(3) Uani 1 1 d . . . . .
F3 F 0.34874(9) 0.81617(13) 0.46953(10) 0.0531(4) Uani 1 1 d . . . . .
O1 O 0.49608(9) 0.83849(11) 0.39205(11) 0.0355(3) Uani 1 1 d . . . . .
O2 O 0.41334(10) 0.73807(11) 0.25229(10) 0.0363(3) Uani 1 1 d . . . . .
O3 O 0.45626(10) 0.66067(11) 0.41318(10) 0.0379(3) Uani 1 1 d . . . . .
N1 N 0.58774(9) 0.85256(12) 0.72611(11) 0.0237(3) Uani 1 1 d . . . . .
C5 C 0.68100(11) 0.85634(14) 0.89165(13) 0.0231(3) Uani 1 1 d . . . . .
C4 C 0.62187(11) 0.90641(13) 0.81053(13) 0.0229(3) Uani 1 1 d . . . . .
C3 C 0.66142(11) 0.69662(14) 0.80010(13) 0.0242(4) Uani 1 1 d . . . . .
C11 C 0.59957(11) 1.01178(14) 0.81989(14) 0.0261(4) Uani 1 1 d . . . . .
H11 H 0.5593 1.0460 0.7671 0.031 Uiso 1 1 calc R . . . .
C15 C 0.76066(12) 0.69723(13) 0.97084(13) 0.0241(3) Uani 1 1 d . . . . .
C6 C 0.70114(11) 0.75119(13) 0.88524(13) 0.0233(4) Uani 1 1 d . . . . .
C2 C 0.60477(11) 0.74924(13) 0.71861(14) 0.0238(4) Uani 1 1 d . . . . .
C16 C 0.84864(12) 0.68173(14) 0.98027(13) 0.0253(4) Uani 1 1 d . . . . .
C7 C 0.56670(12) 0.69293(15) 0.63220(14) 0.0286(4) Uani 1 1 d . . . . .
H7 H 0.5299 0.7270 0.5768 0.034 Uiso 1 1 calc R . . . .
C17 C 0.89998(12) 0.63142(15) 1.06339(14) 0.0290(4) Uani 1 1 d . . . . .
H17 H 0.9598 0.6206 1.0710 0.035 Uiso 1 1 calc R . . . .
C26 C 0.88226(12) 0.51092(15) 0.84491(14) 0.0289(4) Uani 1 1 d . . . . .
H26 H 0.8743 0.5017 0.9070 0.035 Uiso 1 1 calc R . . . .
C14 C 0.71768(12) 0.91443(14) 0.97818(14) 0.0276(4) Uani 1 1 d . . . . .
H14 H 0.7579 0.8822 1.0323 0.033 Uiso 1 1 calc R . . . .
C12 C 0.63603(12) 1.06341(14) 0.90456(14) 0.0286(4) Uani 1 1 d . . . . .
H12 H 0.6206 1.1336 0.9099 0.034 Uiso 1 1 calc R . . . .
C21 C 0.89313(12) 0.61044(15) 0.81305(13) 0.0283(4) Uani 1 1 d . . . . .
C10 C 0.67456(12) 0.58794(14) 0.79250(15) 0.0288(4) Uani 1 1 d . . . . .
H10 H 0.7109 0.5518 0.8469 0.035 Uiso 1 1 calc R . . . .
C8 C 0.58291(12) 0.58941(16) 0.62852(15) 0.0317(4) Uani 1 1 d . . . . .
H8 H 0.5575 0.5528 0.5698 0.038 Uiso 1 1 calc R . . . .
C13 C 0.69600(12) 1.01547(15) 0.98443(14) 0.0291(4) Uani 1 1 d . . . . .
H13 H 0.7212 1.0535 1.0424 0.035 Uiso 1 1 calc R . . . .
C20 C 0.72588(12) 0.66151(15) 1.04260(14) 0.0298(4) Uani 1 1 d . . . . .
H20 H 0.6660 0.6714 1.0354 0.036 Uiso 1 1 calc R . . . .
C18 C 0.86523(13) 0.59697(15) 1.13485(14) 0.0310(4) Uani 1 1 d . . . . .
H18 H 0.9012 0.5633 1.1910 0.037 Uiso 1 1 calc R . . . .
C19 C 0.77807(13) 0.61169(15) 1.12433(15) 0.0314(4) Uani 1 1 d . . . . .
H19 H 0.7541 0.5877 1.1730 0.038 Uiso 1 1 calc R . . . .
C25 C 0.88296(12) 0.42497(17) 0.78728(15) 0.0330(4) Uani 1 1 d . . . . .
H25 H 0.8745 0.3578 0.8097 0.040 Uiso 1 1 calc R . . . .
C1 C 0.52610(13) 0.90511(15) 0.64211(14) 0.0308(4) Uani 1 1 d . . . . .
H1A H 0.4667 0.8936 0.6439 0.046 Uiso 1 1 calc GR . . . .
H1B H 0.5326 0.8769 0.5816 0.046 Uiso 1 1 calc GR . . . .
H1C H 0.5383 0.9795 0.6453 0.046 Uiso 1 1 calc GR . . . .
C27 C 1.00781(13) 0.74257(16) 0.95061(15) 0.0324(4) Uani 1 1 d . . . . .
C9 C 0.63640(13) 0.53533(15) 0.70947(16) 0.0332(4) Uani 1 1 d . . . . .
H9 H 0.6455 0.4630 0.7057 0.040 Uiso 1 1 calc R . . . .
C33 C 0.33702(12) 0.79817(16) 0.37521(15) 0.0320(4) Uani 1 1 d . . . . .
C28 C 1.07129(13) 0.67111(17) 0.94691(16) 0.0355(4) Uani 1 1 d . . . . .
H28 H 1.0557 0.6114 0.9071 0.043 Uiso 1 1 calc R . . . .
C24 C 0.89593(14) 0.43671(18) 0.69748(15) 0.0376(5) Uani 1 1 d . . . . .
H24 H 0.8967 0.3780 0.6581 0.045 Uiso 1 1 calc R . . . .
C22 C 0.90538(14) 0.62169(18) 0.72183(15) 0.0384(5) Uani 1 1 d . . . . .
H22 H 0.9122 0.6888 0.6981 0.046 Uiso 1 1 calc R . . . .
C23 C 0.90771(16) 0.5351(2) 0.66559(16) 0.0443(5) Uani 1 1 d . . . . .
H23 H 0.9175 0.5435 0.6043 0.053 Uiso 1 1 calc R . . . .
C29 C 1.15728(15) 0.6865(2) 1.00093(18) 0.0466(6) Uani 1 1 d . . . . .
H29 H 1.2000 0.6375 0.9974 0.056 Uiso 1 1 calc R . . . .
C32 C 1.03296(17) 0.8306(2) 1.00787(19) 0.0490(6) Uani 1 1 d . . . . .
H32 H 0.9911 0.8816 1.0096 0.059 Uiso 1 1 calc R . . . .
C30 C 1.18085(17) 0.7717(2) 1.0592(2) 0.0564(7) Uani 1 1 d . . . . .
H30 H 1.2395 0.7810 1.0972 0.068 Uiso 1 1 calc R . . . .
C31 C 1.1192(2) 0.8440(3) 1.0625(2) 0.0611(8) Uani 1 1 d . . . . .
H31 H 1.1356 0.9035 1.1025 0.073 Uiso 1 1 calc R . . . .
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'
F F 0.0727 0.0534 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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
O1 S1 C33 102.77(9) . . ?
O2 S1 O1 115.50(9) . . ?
O2 S1 O3 115.37(9) . . ?
O2 S1 C33 103.29(9) . . ?
O3 S1 O1 114.65(9) . . ?
O3 S1 C33 102.61(10) . . ?
C21 P1 C16 102.19(8) . . ?
C21 P1 C27 101.55(9) . . ?
C27 P1 C16 100.87(9) . . ?
C4 N1 C2 121.84(15) . . ?
C4 N1 C1 119.24(15) . . ?
C2 N1 C1 118.80(15) . . ?
C6 C5 C4 119.73(16) . . ?
C6 C5 C14 121.49(17) . . ?
C14 C5 C4 118.78(16) . . ?
N1 C4 C5 119.55(16) . . ?
N1 C4 C11 121.62(16) . . ?
C11 C4 C5 118.83(16) . . ?
C6 C3 C2 119.82(16) . . ?
C6 C3 C10 121.61(17) . . ?
C2 C3 C10 118.56(17) . . ?
C12 C11 C4 119.94(17) . . ?
C16 C15 C6 122.12(16) . . ?
C20 C15 C6 117.73(16) . . ?
C20 C15 C16 120.15(17) . . ?
C5 C6 C15 120.10(16) . . ?
C3 C6 C5 119.42(17) . . ?
C3 C6 C15 120.38(16) . . ?
N1 C2 C3 119.47(16) . . ?
N1 C2 C7 121.62(17) . . ?
C7 C2 C3 118.91(16) . . ?
C15 C16 P1 119.04(14) . . ?
C17 C16 P1 122.61(14) . . ?
C17 C16 C15 118.35(17) . . ?
C8 C7 C2 119.95(18) . . ?
C18 C17 C16 121.24(17) . . ?
C25 C26 C21 121.05(18) . . ?
C13 C14 C5 120.99(18) . . ?
C11 C12 C13 121.74(17) . . ?
C26 C21 P1 124.34(14) . . ?
C26 C21 C22 118.31(19) . . ?
C22 C21 P1 117.35(16) . . ?
C9 C10 C3 121.45(18) . . ?
C7 C8 C9 121.92(18) . . ?
C14 C13 C12 119.70(18) . . ?
C19 C20 C15 120.44(17) . . ?
C19 C18 C17 119.95(18) . . ?
C18 C19 C20 119.87(18) . . ?
C24 C25 C26 120.3(2) . . ?
C28 C27 P1 123.93(17) . . ?
C28 C27 C32 118.4(2) . . ?
C32 C27 P1 117.64(17) . . ?
C10 C9 C8 119.16(18) . . ?
F2 C33 S1 111.80(14) . . ?
F2 C33 F3 107.31(16) . . ?
F1 C33 S1 111.99(14) . . ?
F1 C33 F2 107.17(17) . . ?
F1 C33 F3 107.69(17) . . ?
F3 C33 S1 110.65(14) . . ?
C29 C28 C27 120.5(2) . . ?
C25 C24 C23 119.2(2) . . ?
C23 C22 C21 120.2(2) . . ?
C24 C23 C22 121.0(2) . . ?
C30 C29 C28 120.5(2) . . ?
C31 C32 C27 120.2(3) . . ?
C29 C30 C31 119.7(2) . . ?
C30 C31 C32 120.6(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 O1 1.4448(14) . ?
S1 O2 1.4340(15) . ?
S1 O3 1.4417(14) . ?
S1 C33 1.821(2) . ?
P1 C16 1.8490(18) . ?
P1 C21 1.835(2) . ?
P1 C27 1.837(2) . ?
F2 C33 1.333(2) . ?
F1 C33 1.333(2) . ?
F3 C33 1.337(2) . ?
N1 C4 1.368(2) . ?
N1 C2 1.374(2) . ?
N1 C1 1.484(2) . ?
C5 C4 1.426(2) . ?
C5 C6 1.407(2) . ?
C5 C14 1.425(3) . ?
C4 C11 1.425(2) . ?
C3 C6 1.395(3) . ?
C3 C2 1.428(3) . ?
C3 C10 1.429(2) . ?
C11 C12 1.362(3) . ?
C15 C6 1.492(2) . ?
C15 C16 1.402(2) . ?
C15 C20 1.396(3) . ?
C2 C7 1.416(3) . ?
C16 C17 1.398(3) . ?
C7 C8 1.367(3) . ?
C17 C18 1.386(3) . ?
C26 C21 1.394(3) . ?
C26 C25 1.389(3) . ?
C14 C13 1.362(3) . ?
C12 C13 1.409(3) . ?
C21 C22 1.396(3) . ?
C10 C9 1.355(3) . ?
C8 C9 1.413(3) . ?
C20 C19 1.386(3) . ?
C18 C19 1.384(3) . ?
C25 C24 1.381(3) . ?
C27 C28 1.393(3) . ?
C27 C32 1.393(3) . ?
C28 C29 1.390(3) . ?
C24 C23 1.384(3) . ?
C22 C23 1.390(3) . ?
C29 C30 1.369(4) . ?
C32 C31 1.392(4) . ?
C30 C31 1.377(5) . ?
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
P1 C16 C17 C18 -179.92(15) . . . . ?
P1 C21 C22 C23 179.19(17) . . . . ?
P1 C27 C28 C29 -179.30(16) . . . . ?
P1 C27 C32 C31 178.33(19) . . . . ?
O1 S1 C33 F2 -179.21(14) . . . . ?
O1 S1 C33 F1 60.49(16) . . . . ?
O1 S1 C33 F3 -59.66(16) . . . . ?
O2 S1 C33 F2 60.32(16) . . . . ?
O2 S1 C33 F1 -59.98(16) . . . . ?
O2 S1 C33 F3 179.87(14) . . . . ?
O3 S1 C33 F2 -59.94(16) . . . . ?
O3 S1 C33 F1 179.76(14) . . . . ?
O3 S1 C33 F3 59.61(16) . . . . ?
N1 C4 C11 C12 -178.86(16) . . . . ?
N1 C2 C7 C8 -177.81(17) . . . . ?
C5 C4 C11 C12 1.4(3) . . . . ?
C5 C14 C13 C12 0.4(3) . . . . ?
C4 N1 C2 C3 -1.6(2) . . . . ?
C4 N1 C2 C7 177.59(16) . . . . ?
C4 C5 C6 C3 -1.4(2) . . . . ?
C4 C5 C6 C15 -177.97(15) . . . . ?
C4 C5 C14 C13 1.0(3) . . . . ?
C4 C11 C12 C13 0.0(3) . . . . ?
C3 C2 C7 C8 1.4(3) . . . . ?
C3 C10 C9 C8 0.4(3) . . . . ?
C11 C12 C13 C14 -0.9(3) . . . . ?
C15 C16 C17 C18 0.3(3) . . . . ?
C15 C20 C19 C18 -0.2(3) . . . . ?
C6 C5 C4 N1 -2.3(2) . . . . ?
C6 C5 C4 C11 177.42(15) . . . . ?
C6 C5 C14 C13 -178.29(17) . . . . ?
C6 C3 C2 N1 -2.2(2) . . . . ?
C6 C3 C2 C7 178.57(16) . . . . ?
C6 C3 C10 C9 -179.50(18) . . . . ?
C6 C15 C16 P1 -0.5(2) . . . . ?
C6 C15 C16 C17 179.30(17) . . . . ?
C6 C15 C20 C19 -179.36(17) . . . . ?
C2 N1 C4 C5 3.9(2) . . . . ?
C2 N1 C4 C11 -175.86(16) . . . . ?
C2 C3 C6 C5 3.6(3) . . . . ?
C2 C3 C6 C15 -179.83(15) . . . . ?
C2 C3 C10 C9 1.7(3) . . . . ?
C2 C7 C8 C9 0.7(3) . . . . ?
C16 P1 C21 C26 -13.21(18) . . . . ?
C16 P1 C21 C22 166.75(15) . . . . ?
C16 P1 C27 C28 101.21(18) . . . . ?
C16 P1 C27 C32 -79.51(18) . . . . ?
C16 C15 C6 C5 -98.9(2) . . . . ?
C16 C15 C6 C3 84.6(2) . . . . ?
C16 C15 C20 C19 0.9(3) . . . . ?
C16 C17 C18 C19 0.3(3) . . . . ?
C7 C8 C9 C10 -1.7(3) . . . . ?
C17 C18 C19 C20 -0.4(3) . . . . ?
C26 C21 C22 C23 -0.8(3) . . . . ?
C26 C25 C24 C23 -0.3(3) . . . . ?
C14 C5 C4 N1 178.37(15) . . . . ?
C14 C5 C4 C11 -1.9(2) . . . . ?
C14 C5 C6 C3 177.89(16) . . . . ?
C14 C5 C6 C15 1.3(3) . . . . ?
C21 P1 C16 C15 -99.20(15) . . . . ?
C21 P1 C16 C17 81.06(17) . . . . ?
C21 P1 C27 C28 -3.78(19) . . . . ?
C21 P1 C27 C32 175.51(17) . . . . ?
C21 C26 C25 C24 1.1(3) . . . . ?
C21 C22 C23 C24 1.6(3) . . . . ?
C10 C3 C6 C5 -175.18(16) . . . . ?
C10 C3 C6 C15 1.4(3) . . . . ?
C10 C3 C2 N1 176.66(16) . . . . ?
C10 C3 C2 C7 -2.6(2) . . . . ?
C20 C15 C6 C5 81.4(2) . . . . ?
C20 C15 C6 C3 -95.2(2) . . . . ?
C20 C15 C16 P1 179.31(14) . . . . ?
C20 C15 C16 C17 -0.9(3) . . . . ?
C25 C26 C21 P1 179.51(15) . . . . ?
C25 C26 C21 C22 -0.4(3) . . . . ?
C25 C24 C23 C22 -1.0(3) . . . . ?
C1 N1 C4 C5 179.85(15) . . . . ?
C1 N1 C4 C11 0.1(2) . . . . ?
C1 N1 C2 C3 -177.65(16) . . . . ?
C1 N1 C2 C7 1.6(2) . . . . ?
C27 P1 C16 C15 156.32(15) . . . . ?
C27 P1 C16 C17 -23.42(18) . . . . ?
C27 P1 C21 C26 90.74(17) . . . . ?
C27 P1 C21 C22 -89.30(17) . . . . ?
C27 C28 C29 C30 0.5(3) . . . . ?
C27 C32 C31 C30 1.4(4) . . . . ?
C28 C27 C32 C31 -2.3(3) . . . . ?
C28 C29 C30 C31 -1.5(4) . . . . ?
C29 C30 C31 C32 0.6(4) . . . . ?
C32 C27 C28 C29 1.4(3) . . . . ?
