#------------------------------------------------------------------------------
#$Date: 2023-03-01 09:36:19 +0200 (Wed, 01 Mar 2023) $
#$Revision: 281178 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/13/7131338.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_7131338
loop_
_publ_author_name
'Zhao, Pengfei'
'Li, Peiyuan'
'Xiao, Jian'
'Wang, Yali'
'Hao, Xiaohui'
'Meng, Aiguo'
'Liu, Chunyan'
_publ_section_title
;
 Synthesis and antitumor activities of α-hydroxyamino phosphine
 oxides by catalyst-free hydrophosphinylation of nitrones.
;
_journal_issue                   18
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              2624
_journal_page_last               2627
_journal_paper_doi               10.1039/d2cc06981d
_journal_volume                  59
_journal_year                    2023
_chemical_formula_moiety         'C27 H23 F3 N O2 P'
_chemical_formula_sum            'C27 H23 F3 N O2 P'
_chemical_formula_weight         481.43
_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
_audit_creation_date             2021-12-24
_audit_creation_method
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_audit_update_record
;
2022-12-23 deposited with the CCDC.	2023-02-01 downloaded from the CCDC.
;
_cell_angle_alpha                92.062(7)
_cell_angle_beta                 106.913(7)
_cell_angle_gamma                109.626(7)
_cell_formula_units_Z            2
_cell_length_a                   9.638(5)
_cell_length_b                   10.080(5)
_cell_length_c                   14.098(7)
_cell_measurement_reflns_used    3457
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.66
_cell_measurement_theta_min      2.37
_cell_volume                     1220.6(11)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0183
_diffrn_reflns_av_unetI/netI     0.0333
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7588
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.687
_diffrn_reflns_theta_min         1.527
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.160
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.310
_exptl_crystal_description       block
_exptl_crystal_F_000             500
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.519
_refine_diff_density_min         -0.486
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         5435
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0688
_refine_ls_R_factor_gt           0.0577
_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)+(0.1500P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1876
_refine_ls_wR_factor_ref         0.2062
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4403
_reflns_number_total             5435
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc06981d2.cif
_cod_data_source_block           20211223w2_0m
_cod_database_code               7131338
_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   0.973
_shelx_estimated_absorpt_t_min   0.967
_olex2_refinement_description
;
1. Others
 Fixed Uiso: H2A(0.066) H1(0.064) H2(0.079) H3(0.088) H4(0.084) H5(0.066)
 H8(0.069) H9(0.094) H10(0.099) H11(0.093) H12(0.072) H13(0.045) H14A(0.052)
 H14B(0.052) H16(0.07) H17(0.098) H18(0.105) H19(0.101) H20(0.073) H22(0.062)
 H23(0.07) H25(0.087) H26(0.074)
 Fixed X: H2A(0.659391) H1(0.040748) H2(-0.018186) H3(0.141792) H4(0.351818)
 H5(0.413136) H8(0.116832) H9(-0.088121) H10(-0.183902) H11(-0.077277)
 H12(0.126087) H13(0.402681) H14A(0.62371) H14B(0.745001) H16(0.61485)
 H17(0.772811) H18(1.040159) H19(1.147237) H20(0.991277) H22(0.532944)
 H23(0.591773) H25(0.522162) H26(0.462486)
 Fixed Y: H2A(0.638165) H1(0.664281) H2(0.732683) H3(0.741966) H4(0.673711)
 H5(0.604125) H8(0.340821) H9(0.282027) H10(0.451094) H11(0.681595)
 H12(0.743176) H13(0.826439) H14A(0.998275) H14B(0.955727) H16(0.876431)
 H17(0.906352) H18(1.011947) H19(1.087092) H20(1.055993) H22(0.574758)
 H23(0.585342) H25(0.95309) H26(0.941897)
 Fixed Z: H2A(0.501614) H1(0.399513) H2(0.53719) H3(0.69772) H4(0.72045)
 H5(0.585535) H8(0.233702) H9(0.08567) H10(0.021216) H11(0.103641)
 H12(0.253055) H13(0.371617) H14A(0.482249) H14B(0.446206) H16(0.656271)
 H17(0.821081) H18(0.861612) H19(0.738383) H20(0.574953) H22(0.271994)
 H23(0.123913) H25(0.098888) H26(0.245015)
;
_shelx_shelxl_version_number     2016/6
_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
P1 P 0.29764(5) 0.58395(5) 0.37642(3) 0.03723(19) Uani 1 1 d . . . . .
F1 F 0.6860(3) 0.9027(3) -0.00824(15) 0.1330(9) Uani 1 1 d . U . . .
F2 F 0.6603(3) 0.6888(3) -0.01936(15) 0.1392(11) Uani 1 1 d . . . . .
F3 F 0.4699(2) 0.7518(4) -0.07836(12) 0.1452(11) Uani 1 1 d . . . . .
O1 O 0.35209(16) 0.46243(14) 0.39207(10) 0.0470(3) Uani 1 1 d . . . . .
O2 O 0.66978(15) 0.70346(14) 0.45969(10) 0.0443(3) Uani 1 1 d D . . . .
H2A H 0.659391 0.638165 0.501614 0.066 Uiso 1 1 d DR U . . .
N1 N 0.57637(17) 0.78602(16) 0.46643(11) 0.0375(3) Uani 1 1 d . . . . .
C1 C 0.1045(2) 0.6673(2) 0.46398(18) 0.0532(5) Uani 1 1 d . . . . .
H1 H 0.040748 0.664281 0.399513 0.064 Uiso 1 1 calc R U . . .
C2 C 0.0691(3) 0.7081(3) 0.5464(2) 0.0661(7) Uani 1 1 d . . . . .
H2 H -0.018186 0.732683 0.537190 0.079 Uiso 1 1 calc R U . . .
C3 C 0.1639(4) 0.7123(3) 0.6424(2) 0.0733(7) Uani 1 1 d . . . . .
H3 H 0.141792 0.741966 0.697720 0.088 Uiso 1 1 calc R U . . .
C4 C 0.2901(3) 0.6727(3) 0.65578(19) 0.0697(7) Uani 1 1 d . . . . .
H4 H 0.351818 0.673711 0.720450 0.084 Uiso 1 1 calc R U . . .
C5 C 0.3274(3) 0.6314(3) 0.57523(16) 0.0547(5) Uani 1 1 d . . . . .
H5 H 0.413136 0.604125 0.585535 0.066 Uiso 1 1 calc R U . . .
C6 C 0.2358(2) 0.6308(2) 0.47792(14) 0.0417(4) Uani 1 1 d . . . . .
C7 C 0.1412(2) 0.5466(2) 0.25951(14) 0.0436(4) Uani 1 1 d . . . . .
C8 C 0.0776(3) 0.4095(3) 0.20841(17) 0.0572(6) Uani 1 1 d . . . . .
H8 H 0.116832 0.340821 0.233702 0.069 Uiso 1 1 calc R U . . .
C9 C -0.0445(3) 0.3747(3) 0.1196(2) 0.0785(8) Uani 1 1 d . . . . .
H9 H -0.088121 0.282027 0.085670 0.094 Uiso 1 1 calc R U . . .
C10 C -0.1017(3) 0.4757(4) 0.0811(2) 0.0827(9) Uani 1 1 d . . . . .
H10 H -0.183902 0.451094 0.021216 0.099 Uiso 1 1 calc R U . . .
C11 C -0.0383(3) 0.6134(4) 0.1304(2) 0.0773(8) Uani 1 1 d . . . . .
H11 H -0.077277 0.681595 0.103641 0.093 Uiso 1 1 calc R U . . .
C12 C 0.0830(3) 0.6503(3) 0.21958(17) 0.0604(6) Uani 1 1 d . . . . .
H12 H 0.126087 0.743176 0.253055 0.072 Uiso 1 1 calc R U . . .
C13 C 0.4480(2) 0.75296(19) 0.37038(13) 0.0371(4) Uani 1 1 d . . . . .
H13 H 0.402681 0.826439 0.371617 0.045 Uiso 1 1 calc R U . . .
C14 C 0.6827(2) 0.9358(2) 0.49069(15) 0.0433(4) Uani 1 1 d . . . . .
H14A H 0.623710 0.998275 0.482249 0.052 Uiso 1 1 calc R U . . .
H14B H 0.745001 0.955727 0.446206 0.052 Uiso 1 1 calc R U . . .
C15 C 0.7870(2) 0.9611(2) 0.59828(15) 0.0449(4) Uani 1 1 d . . . . .
C16 C 0.7223(3) 0.9181(3) 0.67243(18) 0.0587(6) Uani 1 1 d . . . . .
H16 H 0.614850 0.876431 0.656271 0.070 Uiso 1 1 calc R U . . .
C17 C 0.8170(4) 0.9365(3) 0.77145(19) 0.0817(9) Uani 1 1 d . . . . .
H17 H 0.772811 0.906352 0.821081 0.098 Uiso 1 1 calc R U . . .
C18 C 0.9764(4) 0.9996(3) 0.7957(2) 0.0876(10) Uani 1 1 d . . . . .
H18 H 1.040159 1.011947 0.861612 0.105 Uiso 1 1 calc R U . . .
C19 C 1.0399(3) 1.0439(3) 0.7221(2) 0.0842(9) Uani 1 1 d . . . . .
H19 H 1.147237 1.087092 0.738383 0.101 Uiso 1 1 calc R U . . .
C20 C 0.9464(3) 1.0251(3) 0.62416(19) 0.0608(6) Uani 1 1 d . . . . .
H20 H 0.991277 1.055993 0.574953 0.073 Uiso 1 1 calc R U . . .
C21 C 0.4907(2) 0.7567(2) 0.27477(13) 0.0400(4) Uani 1 1 d . . . . .
C22 C 0.5298(3) 0.6509(2) 0.23723(16) 0.0515(5) Uani 1 1 d . . . . .
H22 H 0.532944 0.574758 0.271994 0.062 Uiso 1 1 calc R U . . .
C23 C 0.5647(3) 0.6569(3) 0.14810(17) 0.0584(6) Uani 1 1 d . . . . .
H23 H 0.591773 0.585342 0.123913 0.070 Uiso 1 1 calc R U . . .
C24 C 0.5593(2) 0.7684(3) 0.09572(15) 0.0539(5) Uani 1 1 d . . . . .
C25 C 0.5230(4) 0.8761(3) 0.13311(19) 0.0728(7) Uani 1 1 d . . . . .
H25 H 0.522162 0.953090 0.098888 0.087 Uiso 1 1 calc R U . . .
C26 C 0.4883(3) 0.8694(3) 0.22090(18) 0.0617(6) Uani 1 1 d . . . . .
H26 H 0.462486 0.941897 0.245015 0.074 Uiso 1 1 calc R U . . .
C27 C 0.5916(3) 0.7743(4) -0.00182(18) 0.0721(7) Uani 1 1 d . 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'
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'
F F 0.0171 0.0103 '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'
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 P1 C6 112.44(8) . . ?
O1 P1 C7 111.16(9) . . ?
O1 P1 C13 114.61(9) . . ?
C6 P1 C13 103.38(9) . . ?
C7 P1 C6 109.43(10) . . ?
C7 P1 C13 105.30(9) . . ?
N1 O2 H2A 109.5 . . ?
O2 N1 C13 108.51(13) . . ?
O2 N1 C14 105.99(14) . . ?
C14 N1 C13 114.05(13) . . ?
C2 C1 H1 120.0 . . ?
C2 C1 C6 120.0(2) . . ?
C6 C1 H1 120.0 . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 120.0(2) . . ?
C3 C2 H2 120.0 . . ?
C2 C3 H3 120.1 . . ?
C4 C3 C2 119.9(2) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 H4 119.4 . . ?
C3 C4 C5 121.2(3) . . ?
C5 C4 H4 119.4 . . ?
C4 C5 H5 120.2 . . ?
C4 C5 C6 119.6(2) . . ?
C6 C5 H5 120.2 . . ?
C1 C6 P1 123.69(16) . . ?
C1 C6 C5 119.27(19) . . ?
C5 C6 P1 117.04(15) . . ?
C8 C7 P1 117.56(16) . . ?
C8 C7 C12 119.6(2) . . ?
C12 C7 P1 122.83(16) . . ?
C7 C8 H8 120.1 . . ?
C7 C8 C9 119.8(2) . . ?
C9 C8 H8 120.1 . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.5(3) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 119.8 . . ?
C9 C10 C11 120.4(2) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0(3) . . ?
C12 C11 H11 120.0 . . ?
C7 C12 H12 120.2 . . ?
C11 C12 C7 119.6(2) . . ?
C11 C12 H12 120.2 . . ?
P1 C13 H13 106.0 . . ?
N1 C13 P1 105.94(11) . . ?
N1 C13 H13 106.0 . . ?
N1 C13 C21 117.23(14) . . ?
C21 C13 P1 114.87(13) . . ?
C21 C13 H13 106.0 . . ?
N1 C14 H14A 110.0 . . ?
N1 C14 H14B 110.0 . . ?
N1 C14 C15 108.30(15) . . ?
H14A C14 H14B 108.4 . . ?
C15 C14 H14A 110.0 . . ?
C15 C14 H14B 110.0 . . ?
C16 C15 C14 119.66(19) . . ?
C16 C15 C20 118.8(2) . . ?
C20 C15 C14 121.5(2) . . ?
C15 C16 H16 119.8 . . ?
C15 C16 C17 120.4(2) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 120.1 . . ?
C18 C17 C16 119.9(3) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 H18 120.2 . . ?
C19 C18 C17 119.5(3) . . ?
C19 C18 H18 120.2 . . ?
C18 C19 H19 119.7 . . ?
C18 C19 C20 120.6(3) . . ?
C20 C19 H19 119.7 . . ?
C15 C20 H20 119.6 . . ?
C19 C20 C15 120.7(3) . . ?
C19 C20 H20 119.6 . . ?
C22 C21 C13 122.69(17) . . ?
C22 C21 C26 117.86(19) . . ?
C26 C21 C13 119.45(18) . . ?
C21 C22 H22 119.6 . . ?
C21 C22 C23 120.83(19) . . ?
C23 C22 H22 119.6 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 C22 120.1(2) . . ?
C24 C23 H23 120.0 . . ?
C23 C24 C25 119.8(2) . . ?
C23 C24 C27 120.8(2) . . ?
C25 C24 C27 119.4(2) . . ?
C24 C25 H25 120.1 . . ?
C26 C25 C24 119.9(2) . . ?
C26 C25 H25 120.1 . . ?
C21 C26 H26 119.2 . . ?
C25 C26 C21 121.6(2) . . ?
C25 C26 H26 119.2 . . ?
F1 C27 C24 112.6(2) . . ?
F2 C27 F1 104.1(3) . . ?
F2 C27 C24 114.8(2) . . ?
F3 C27 F1 102.8(3) . . ?
F3 C27 F2 107.8(3) . . ?
F3 C27 C24 113.7(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
P1 O1 1.4861(15) . ?
P1 C6 1.806(2) . ?
P1 C7 1.805(2) . ?
P1 C13 1.853(2) . ?
F1 C27 1.333(4) . ?
F2 C27 1.306(3) . ?
F3 C27 1.288(3) . ?
O2 H2A 0.9003 . ?
O2 N1 1.4351(19) . ?
N1 C13 1.480(2) . ?
N1 C14 1.472(2) . ?
C1 H1 0.9300 . ?
C1 C2 1.388(3) . ?
C1 C6 1.396(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.385(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.368(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.377(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.397(3) . ?
C7 C8 1.380(3) . ?
C7 C12 1.406(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.382(3) . ?
C9 H9 0.9300 . ?
C9 C10 1.371(4) . ?
C10 H10 0.9300 . ?
C10 C11 1.378(5) . ?
C11 H11 0.9300 . ?
C11 C12 1.380(3) . ?
C12 H12 0.9300 . ?
C13 H13 0.9800 . ?
C13 C21 1.518(3) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.513(3) . ?
C15 C16 1.378(3) . ?
C15 C20 1.379(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.394(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.380(5) . ?
C18 H18 0.9300 . ?
C18 C19 1.367(5) . ?
C19 H19 0.9300 . ?
C19 C20 1.378(4) . ?
C20 H20 0.9300 . ?
C21 C22 1.380(3) . ?
C21 C26 1.392(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.390(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.374(3) . ?
C24 C25 1.378(4) . ?
C24 C27 1.495(3) . ?
C25 H25 0.9300 . ?
C25 C26 1.371(3) . ?
C26 H26 0.9300 . ?
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 C7 C8 C9 178.71(18) . . . . ?
P1 C7 C12 C11 -179.1(2) . . . . ?
P1 C13 C21 C22 -50.6(2) . . . . ?
P1 C13 C21 C26 128.32(19) . . . . ?
O1 P1 C6 C1 -139.04(17) . . . . ?
O1 P1 C6 C5 41.76(18) . . . . ?
O1 P1 C7 C8 9.22(19) . . . . ?
O1 P1 C7 C12 -170.82(17) . . . . ?
O1 P1 C13 N1 -58.23(14) . . . . ?
O1 P1 C13 C21 72.83(14) . . . . ?
O2 N1 C13 P1 80.95(14) . . . . ?
O2 N1 C13 C21 -48.75(19) . . . . ?
O2 N1 C14 C15 -71.87(18) . . . . ?
N1 C13 C21 C22 74.8(2) . . . . ?
N1 C13 C21 C26 -106.3(2) . . . . ?
N1 C14 C15 C16 -49.5(2) . . . . ?
N1 C14 C15 C20 129.7(2) . . . . ?
C1 C2 C3 C4 -1.6(4) . . . . ?
C2 C1 C6 P1 -177.10(16) . . . . ?
C2 C1 C6 C5 2.1(3) . . . . ?
C2 C3 C4 C5 1.5(4) . . . . ?
C3 C4 C5 C6 0.5(4) . . . . ?
C4 C5 C6 P1 176.99(18) . . . . ?
C4 C5 C6 C1 -2.3(3) . . . . ?
C6 P1 C7 C8 -115.57(17) . . . . ?
C6 P1 C7 C12 64.4(2) . . . . ?
C6 P1 C13 N1 64.49(13) . . . . ?
C6 P1 C13 C21 -164.46(12) . . . . ?
C6 C1 C2 C3 -0.1(3) . . . . ?
C7 P1 C6 C1 -15.0(2) . . . . ?
C7 P1 C6 C5 165.80(16) . . . . ?
C7 P1 C13 N1 179.29(11) . . . . ?
C7 P1 C13 C21 -49.65(15) . . . . ?
C7 C8 C9 C10 0.8(4) . . . . ?
C8 C7 C12 C11 0.8(3) . . . . ?
C8 C9 C10 C11 0.0(5) . . . . ?
C9 C10 C11 C12 -0.4(5) . . . . ?
C10 C11 C12 C7 0.0(4) . . . . ?
C12 C7 C8 C9 -1.3(3) . . . . ?
C13 P1 C6 C1 96.81(18) . . . . ?
C13 P1 C6 C5 -82.39(18) . . . . ?
C13 P1 C7 C8 133.89(17) . . . . ?
C13 P1 C7 C12 -46.2(2) . . . . ?
C13 N1 C14 C15 168.82(14) . . . . ?
C13 C21 C22 C23 178.51(19) . . . . ?
C13 C21 C26 C25 -178.7(2) . . . . ?
C14 N1 C13 P1 -161.17(13) . . . . ?
C14 N1 C13 C21 69.1(2) . . . . ?
C14 C15 C16 C17 178.0(2) . . . . ?
C14 C15 C20 C19 -178.2(2) . . . . ?
C15 C16 C17 C18 0.7(4) . . . . ?
C16 C15 C20 C19 1.0(4) . . . . ?
C16 C17 C18 C19 0.2(5) . . . . ?
C17 C18 C19 C20 -0.5(5) . . . . ?
C18 C19 C20 C15 -0.1(4) . . . . ?
C20 C15 C16 C17 -1.3(4) . . . . ?
C21 C22 C23 C24 -0.5(4) . . . . ?
C22 C21 C26 C25 0.2(4) . . . . ?
C22 C23 C24 C25 1.7(4) . . . . ?
C22 C23 C24 C27 -178.1(2) . . . . ?
C23 C24 C25 C26 -1.9(4) . . . . ?
C23 C24 C27 F1 -134.9(3) . . . . ?
C23 C24 C27 F2 -16.0(4) . . . . ?
C23 C24 C27 F3 108.8(3) . . . . ?
C24 C25 C26 C21 0.9(4) . . . . ?
C25 C24 C27 F1 45.4(3) . . . . ?
C25 C24 C27 F2 164.2(3) . . . . ?
C25 C24 C27 F3 -71.0(4) . . . . ?
C26 C21 C22 C23 -0.4(3) . . . . ?
C27 C24 C25 C26 177.9(3) . . . . ?
