# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_20211223w2_0m
_database_code_depnum_ccdc_archive 'CCDC 2232462'
loop_
_audit_author_name
_audit_author_address
'Pengfei Zhao'
;North China University of Science and Technology, College of Pharmacy
China
;
_audit_update_record             
;
2022-12-23 deposited with the CCDC.	2023-02-01 downloaded from the CCDC.
;
_audit_creation_date             2021-12-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H23 F3 N O2 P'
_chemical_formula_sum            'C27 H23 F3 N O2 P'
_chemical_formula_weight         481.43
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.638(5)
_cell_length_b                   10.080(5)
_cell_length_c                   14.098(7)
_cell_angle_alpha                92.062(7)
_cell_angle_beta                 106.913(7)
_cell_angle_gamma                109.626(7)
_cell_volume                     1220.6(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3457
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.66
_cell_measurement_theta_min      2.37
_shelx_estimated_absorpt_T_max   0.973
_shelx_estimated_absorpt_T_min   0.967
_exptl_absorpt_coefficient_mu    0.160
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.310
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_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
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_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_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean ?
_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_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4403
_reflns_number_total             5435
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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)'
_refine_diff_density_max         0.519
_refine_diff_density_min         -0.486
_refine_diff_density_rms         0.095
_refine_ls_extinction_coef       .
_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_R_factor_all          0.0688
_refine_ls_R_factor_gt           0.0577
_refine_ls_restrained_S_all      1.087
_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
_refine_special_details          ?
_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)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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_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_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) . . . . ?

_shelx_SHELXL_version_number     2016/6
_olex2_submission_special_instructions 'No special instructions were received'
