#------------------------------------------------------------------------------
#$Date: 2023-09-05 22:57:27 +0300 (Tue, 05 Sep 2023) $
#$Revision: 286142 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/70/7247092.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_7247092
loop_
_publ_author_name
'Chu, Xue-Qiang'
'Sun, Li-Wen'
'Ma, Cheng'
'Chen, Jia-Wei'
'Chen, Yu-Lan'
'Ni, Shao-Fei'
'Zhu, Ming-Quan'
'Zhou, Jie'
'Ma, Mengtao'
'Shen, Zhi-Liang'
_publ_section_title
;
 “On-water” defluorophosphorylation of trifluoromethylated
 enones with phosphine oxides
;
_journal_issue                   16
_journal_name_full               'Green Chemistry'
_journal_page_first              6489
_journal_page_last               6497
_journal_paper_doi               10.1039/D3GC01565C
_journal_volume                  25
_journal_year                    2023
_chemical_formula_moiety         'C28 H21 F2 O2 P'
_chemical_formula_sum            'C28 H21 F2 O2 P'
_chemical_formula_weight         458.42
_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   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-11-19
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2021-12-30 deposited with the CCDC.	2023-07-19 downloaded from the CCDC.
;
_cell_angle_alpha                104.208(6)
_cell_angle_beta                 96.087(5)
_cell_angle_gamma                103.597(6)
_cell_formula_units_Z            2
_cell_length_a                   6.1385(4)
_cell_length_b                   11.7600(8)
_cell_length_c                   17.0258(11)
_cell_measurement_reflns_used    3164
_cell_measurement_temperature    149.99(10)
_cell_measurement_theta_max      28.8450
_cell_measurement_theta_min      3.4550
_cell_volume                     1140.46(14)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_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      149.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -55.00  34.00   1.00    1.20    --   11.90 -57.00-150.00   89
  2  ω    -15.00  78.00   1.00    1.20    --   11.90  77.00 120.00   93
  3  ω    -16.00  85.00   1.00    1.20    --   11.90  57.00   0.00  101
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0390788000
_diffrn_orient_matrix_UB_12      0.0574407000
_diffrn_orient_matrix_UB_13      0.0299917000
_diffrn_orient_matrix_UB_21      -0.0278778000
_diffrn_orient_matrix_UB_22      -0.0284356000
_diffrn_orient_matrix_UB_23      0.0312114000
_diffrn_orient_matrix_UB_31      0.1107626000
_diffrn_orient_matrix_UB_32      -0.0083409000
_diffrn_orient_matrix_UB_33      0.0055393000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_av_unetI/netI     0.0506
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            7518
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.927
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.160
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70484
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.335
_exptl_crystal_description       block
_exptl_crystal_F_000             476
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.338
_refine_diff_density_min         -0.394
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4016
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0428
_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)+(0.0418P)²+0.2532P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0947
_refine_ls_wR_factor_ref         0.1041
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3269
_reflns_number_total             4016
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3gc01565c2.cif
_cod_data_source_block           8362
_cod_depositor_comments
'Adding full bibliography for 7247092--7247093.cif.'
_cod_original_cell_volume        1140.47(14)
_cod_database_code               7247092
_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   0.983
_shelx_estimated_absorpt_t_min   0.978
_reflns_odcompleteness_completeness 99.96
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C24(H24),
  C25(H25), C26(H26), C27(H27), C28(H28)
;
_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 1.324
_oxdiff_exptl_absorpt_empirical_full_min 0.634
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 0.15806(9) 0.68786(4) 0.71389(3) 0.01845(15) Uani 1 1 d . . . . .
F1 F -0.0203(2) 1.05871(11) 0.94491(7) 0.0408(4) Uani 1 1 d . . . . .
F2 F -0.0534(2) 1.13163(11) 0.84184(7) 0.0342(3) Uani 1 1 d . . . . .
O1 O 0.3699(2) 0.79233(11) 0.77302(7) 0.0198(3) Uani 1 1 d . . . . .
O2 O -0.0681(2) 0.70427(12) 0.72507(8) 0.0245(3) Uani 1 1 d . . . . .
C1 C 0.4729(3) 0.77193(17) 0.90931(12) 0.0225(5) Uani 1 1 d . . . . .
C2 C 0.3985(4) 0.75997(19) 0.98192(12) 0.0290(5) Uani 1 1 d . . . . .
H2 H 0.280479 0.792167 0.998143 0.035 Uiso 1 1 calc R U . . .
C3 C 0.4974(4) 0.7011(2) 1.03000(13) 0.0356(6) Uani 1 1 d . . . . .
H3 H 0.446646 0.694300 1.078643 0.043 Uiso 1 1 calc R U . . .
C4 C 0.6714(4) 0.6521(2) 1.00649(14) 0.0387(6) Uani 1 1 d . . . . .
H4 H 0.736224 0.611044 1.038634 0.046 Uiso 1 1 calc R U . . .
C5 C 0.7485(4) 0.6642(2) 0.93527(13) 0.0358(6) Uani 1 1 d . . . . .
H5 H 0.867521 0.632315 0.919821 0.043 Uiso 1 1 calc R U . . .
C6 C 0.6509(4) 0.72348(19) 0.88637(13) 0.0278(5) Uani 1 1 d . . . . .
H6 H 0.703901 0.731005 0.838206 0.033 Uiso 1 1 calc R U . . .
C7 C 0.3653(3) 0.83432(17) 0.85726(11) 0.0213(4) Uani 1 1 d . . . . .
C8 C 0.2756(4) 0.92598(18) 0.88432(12) 0.0244(5) Uani 1 1 d . . . . .
H8 H 0.281277 0.950793 0.940916 0.029 Uiso 1 1 calc R U . . .
C9 C 0.1692(3) 0.99310(17) 0.83700(12) 0.0229(5) Uani 1 1 d . . . . .
C10 C 0.0388(4) 1.05644(18) 0.87218(12) 0.0265(5) Uani 1 1 d . . . . .
C11 C 0.2174(3) 1.00327(17) 0.75470(12) 0.0229(5) Uani 1 1 d . . . . .
C12 C 0.0435(4) 0.97418(19) 0.68844(13) 0.0297(5) Uani 1 1 d . . . . .
H12 H -0.106405 0.944330 0.694285 0.036 Uiso 1 1 calc R U . . .
C13 C 0.0917(5) 0.9893(2) 0.61353(14) 0.0404(6) Uani 1 1 d . . . . .
H13 H -0.026131 0.969469 0.569236 0.048 Uiso 1 1 calc R U . . .
C14 C 0.3122(5) 1.0334(2) 0.60413(14) 0.0422(6) Uani 1 1 d . . . . .
H14 H 0.343735 1.043602 0.553674 0.051 Uiso 1 1 calc R U . . .
C15 C 0.4861(4) 1.0624(2) 0.66952(15) 0.0404(6) Uani 1 1 d . . . . .
H15 H 0.635750 1.092218 0.663351 0.049 Uiso 1 1 calc R U . . .
C16 C 0.4391(4) 1.04727(19) 0.74434(14) 0.0316(5) Uani 1 1 d . . . . .
H16 H 0.557725 1.066877 0.788329 0.038 Uiso 1 1 calc R U . . .
C17 C 0.2283(3) 0.69465(17) 0.61548(11) 0.0194(4) Uani 1 1 d . . . . .
C18 C 0.0473(4) 0.66497(18) 0.55099(12) 0.0270(5) Uani 1 1 d . . . . .
H18 H -0.101252 0.640843 0.560027 0.032 Uiso 1 1 calc R U . . .
C19 C 0.0867(4) 0.6711(2) 0.47377(13) 0.0360(6) Uani 1 1 d . . . . .
H19 H -0.034780 0.651440 0.430801 0.043 Uiso 1 1 calc R U . . .
C20 C 0.3067(4) 0.7065(2) 0.46055(13) 0.0375(6) Uani 1 1 d . . . . .
H20 H 0.333502 0.711660 0.408625 0.045 Uiso 1 1 calc R U . . .
C21 C 0.4871(4) 0.7342(2) 0.52356(14) 0.0368(6) Uani 1 1 d . . . . .
H21 H 0.635246 0.757013 0.513869 0.044 Uiso 1 1 calc R U . . .
C22 C 0.4492(4) 0.72823(19) 0.60143(13) 0.0276(5) Uani 1 1 d . . . . .
H22 H 0.571395 0.746681 0.643952 0.033 Uiso 1 1 calc R U . . .
C23 C 0.1864(3) 0.54695(16) 0.73076(11) 0.0179(4) Uani 1 1 d . . . . .
C24 C 0.3740(4) 0.50264(18) 0.71410(12) 0.0250(5) Uani 1 1 d . . . . .
H24 H 0.492764 0.547864 0.695459 0.030 Uiso 1 1 calc R U . . .
C25 C 0.3815(4) 0.39138(18) 0.72551(13) 0.0276(5) Uani 1 1 d . . . . .
H25 H 0.504856 0.361103 0.713585 0.033 Uiso 1 1 calc R U . . .
C26 C 0.2086(4) 0.32486(19) 0.75432(13) 0.0317(5) Uani 1 1 d . . . . .
H26 H 0.215412 0.250041 0.761915 0.038 Uiso 1 1 calc R U . . .
C27 C 0.0247(4) 0.3690(2) 0.77199(14) 0.0334(5) Uani 1 1 d . . . . .
H27 H -0.091646 0.324304 0.792005 0.040 Uiso 1 1 calc R U . . .
C28 C 0.0137(4) 0.47940(18) 0.75993(12) 0.0264(5) Uani 1 1 d . . . . .
H28 H -0.110949 0.508658 0.771509 0.032 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'
F F 0.0171 0.0103 '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'
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 C17 100.15(8) . . ?
O1 P1 C23 106.12(8) . . ?
O2 P1 O1 115.52(8) . . ?
O2 P1 C17 114.10(8) . . ?
O2 P1 C23 111.17(9) . . ?
C17 P1 C23 108.97(8) . . ?
C7 O1 P1 119.87(12) . . ?
C2 C1 C6 118.66(17) . . ?
C2 C1 C7 120.75(17) . . ?
C6 C1 C7 120.59(17) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 C1 120.75(19) . . ?
C3 C2 H2 119.6 . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.3(2) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 120.2 . . ?
C5 C4 C3 119.64(19) . . ?
C5 C4 H4 120.2 . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.6(2) . . ?
C6 C5 H5 119.7 . . ?
C1 C6 H6 120.0 . . ?
C5 C6 C1 120.0(2) . . ?
C5 C6 H6 120.0 . . ?
O1 C7 C1 114.57(15) . . ?
C8 C7 O1 119.89(16) . . ?
C8 C7 C1 125.50(18) . . ?
C7 C8 H8 115.7 . . ?
C7 C8 C9 128.69(18) . . ?
C9 C8 H8 115.7 . . ?
C8 C9 C11 123.93(17) . . ?
C10 C9 C8 117.84(18) . . ?
C10 C9 C11 117.96(17) . . ?
F1 C10 F2 107.98(15) . . ?
C9 C10 F1 125.98(17) . . ?
C9 C10 F2 126.03(18) . . ?
C12 C11 C9 121.31(19) . . ?
C12 C11 C16 118.73(19) . . ?
C16 C11 C9 119.91(18) . . ?
C11 C12 H12 119.9 . . ?
C11 C12 C13 120.3(2) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.4(2) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 H14 120.1 . . ?
C13 C14 C15 119.7(2) . . ?
C15 C14 H14 120.1 . . ?
C14 C15 H15 120.0 . . ?
C14 C15 C16 120.1(2) . . ?
C16 C15 H15 120.0 . . ?
C11 C16 H16 119.6 . . ?
C15 C16 C11 120.7(2) . . ?
C15 C16 H16 119.6 . . ?
C18 C17 P1 116.75(15) . . ?
C22 C17 P1 123.60(15) . . ?
C22 C17 C18 119.65(18) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.4(2) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 120.2 . . ?
C20 C19 C18 119.7(2) . . ?
C20 C19 H19 120.2 . . ?
C19 C20 H20 119.8 . . ?
C21 C20 C19 120.5(2) . . ?
C21 C20 H20 119.8 . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.3(2) . . ?
C22 C21 H21 119.9 . . ?
C17 C22 C21 119.5(2) . . ?
C17 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C24 C23 P1 122.39(15) . . ?
C28 C23 P1 118.28(14) . . ?
C28 C23 C24 119.32(17) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 C23 119.54(19) . . ?
C25 C24 H24 120.2 . . ?
C24 C25 H25 119.7 . . ?
C26 C25 C24 120.62(19) . . ?
C26 C25 H25 119.7 . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C27 120.08(19) . . ?
C27 C26 H26 120.0 . . ?
C26 C27 H27 120.1 . . ?
C28 C27 C26 119.9(2) . . ?
C28 C27 H27 120.1 . . ?
C23 C28 H28 119.7 . . ?
C27 C28 C23 120.53(18) . . ?
C27 C28 H28 119.7 . . ?
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 1.6056(14) . ?
P1 O2 1.4712(13) . ?
P1 C17 1.7894(19) . ?
P1 C23 1.7937(18) . ?
F1 C10 1.323(2) . ?
F2 C10 1.329(2) . ?
O1 C7 1.403(2) . ?
C1 C2 1.390(3) . ?
C1 C6 1.395(3) . ?
C1 C7 1.477(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.374(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.378(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.375(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.383(3) . ?
C6 H6 0.9300 . ?
C7 C8 1.329(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.464(3) . ?
C9 C10 1.310(3) . ?
C9 C11 1.490(3) . ?
C11 C12 1.383(3) . ?
C11 C16 1.384(3) . ?
C12 H12 0.9300 . ?
C12 C13 1.383(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.372(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.373(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.379(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.390(3) . ?
C17 C22 1.384(3) . ?
C18 H18 0.9300 . ?
C18 C19 1.378(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.376(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.375(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.386(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.399(3) . ?
C23 C28 1.383(3) . ?
C24 H24 0.9300 . ?
C24 C25 1.380(3) . ?
C25 H25 0.9300 . ?
C25 C26 1.374(3) . ?
C26 H26 0.9300 . ?
C26 C27 1.380(3) . ?
C27 H27 0.9300 . ?
C27 C28 1.379(3) . ?
C28 H28 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 O1 C7 C1 93.47(18) . . . . ?
P1 O1 C7 C8 -88.6(2) . . . . ?
P1 C17 C18 C19 178.25(15) . . . . ?
P1 C17 C22 C21 -178.20(16) . . . . ?
P1 C23 C24 C25 -177.58(15) . . . . ?
P1 C23 C28 C27 178.39(16) . . . . ?
O1 P1 C17 C18 -149.29(15) . . . . ?
O1 P1 C17 C22 30.19(17) . . . . ?
O1 P1 C23 C24 -61.74(17) . . . . ?
O1 P1 C23 C28 119.42(16) . . . . ?
O1 C7 C8 C9 1.5(4) . . . . ?
O2 P1 O1 C7 45.46(14) . . . . ?
O2 P1 C17 C18 -25.27(18) . . . . ?
O2 P1 C17 C22 154.21(15) . . . . ?
O2 P1 C23 C24 171.91(15) . . . . ?
O2 P1 C23 C28 -6.93(18) . . . . ?
C1 C2 C3 C4 -0.5(4) . . . . ?
C1 C7 C8 C9 179.2(2) . . . . ?
C2 C1 C6 C5 0.4(3) . . . . ?
C2 C1 C7 O1 -150.51(18) . . . . ?
C2 C1 C7 C8 31.7(3) . . . . ?
C2 C3 C4 C5 1.1(4) . . . . ?
C3 C4 C5 C6 -1.0(4) . . . . ?
C4 C5 C6 C1 0.2(3) . . . . ?
C6 C1 C2 C3 -0.3(3) . . . . ?
C6 C1 C7 O1 29.3(3) . . . . ?
C6 C1 C7 C8 -148.5(2) . . . . ?
C7 C1 C2 C3 179.5(2) . . . . ?
C7 C1 C6 C5 -179.4(2) . . . . ?
C7 C8 C9 C10 161.8(2) . . . . ?
C7 C8 C9 C11 -24.3(4) . . . . ?
C8 C9 C10 F1 -5.4(3) . . . . ?
C8 C9 C10 F2 173.16(19) . . . . ?
C8 C9 C11 C12 127.6(2) . . . . ?
C8 C9 C11 C16 -55.0(3) . . . . ?
C9 C11 C12 C13 177.22(18) . . . . ?
C9 C11 C16 C15 -177.14(18) . . . . ?
C10 C9 C11 C12 -58.4(3) . . . . ?
C10 C9 C11 C16 118.9(2) . . . . ?
C11 C9 C10 F1 -179.67(19) . . . . ?
C11 C9 C10 F2 -1.2(3) . . . . ?
C11 C12 C13 C14 -0.1(3) . . . . ?
C12 C11 C16 C15 0.3(3) . . . . ?
C12 C13 C14 C15 0.2(3) . . . . ?
C13 C14 C15 C16 0.0(3) . . . . ?
C14 C15 C16 C11 -0.2(3) . . . . ?
C16 C11 C12 C13 -0.1(3) . . . . ?
C17 P1 O1 C7 168.50(12) . . . . ?
C17 P1 C23 C24 45.31(19) . . . . ?
C17 P1 C23 C28 -133.52(16) . . . . ?
C17 C18 C19 C20 0.2(3) . . . . ?
C18 C17 C22 C21 1.3(3) . . . . ?
C18 C19 C20 C21 0.8(3) . . . . ?
C19 C20 C21 C22 -0.8(3) . . . . ?
C20 C21 C22 C17 -0.3(3) . . . . ?
C22 C17 C18 C19 -1.3(3) . . . . ?
C23 P1 O1 C7 -78.21(13) . . . . ?
C23 P1 C17 C18 99.62(16) . . . . ?
C23 P1 C17 C22 -80.89(18) . . . . ?
C23 C24 C25 C26 -1.1(3) . . . . ?
C24 C23 C28 C27 -0.5(3) . . . . ?
C24 C25 C26 C27 0.1(3) . . . . ?
C25 C26 C27 C28 0.6(3) . . . . ?
C26 C27 C28 C23 -0.5(3) . . . . ?
C28 C23 C24 C25 1.2(3) . . . . ?
