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#$Date: 2024-12-06 17:30:14 +0200 (Fri, 06 Dec 2024) $
#$Revision: 296321 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/37/7133766.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_7133766
loop_
_publ_author_name
'Priyanka, Chiliveru'
'Madhu, Desagoni'
'Gangadhar, Palivela Siva'
'Giribabu, Lingamallu'
'Punna, Nagender'
_publ_section_title
;
 Cross-conjugated vinylogous annulation of π-CF₃-allyl
 Pd-complexes with 4-methyl-3-trifluoroacetyl-quinolones.
;
_journal_issue                   84
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              12233
_journal_page_last               12236
_journal_paper_doi               10.1039/d4cc03953j
_journal_volume                  60
_journal_year                    2024
_chemical_formula_moiety         'C23 H17 F6 N O2'
_chemical_formula_sum            'C23 H17 F6 N O2'
_chemical_formula_weight         453.38
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2024-06-05 deposited with the CCDC.	2024-09-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.968(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.4138(11)
_cell_length_b                   11.2940(11)
_cell_length_c                   15.5406(13)
_cell_measurement_reflns_used    7202
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      28.199
_cell_measurement_theta_min      2.379
_cell_volume                     1984.0(3)
_computing_cell_refinement       'SAINT (Bruker, 2016)'
_computing_data_collection       'APEX3 (Bruker, 2016)'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON-100'
_diffrn_measurement_method       'ω and φ'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0515
_diffrn_reflns_av_unetI/netI     0.0489
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21908
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.314
_diffrn_reflns_theta_min         2.237
_exptl_absorpt_coefficient_mu    0.135
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.7016
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_description       block
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.090
_refine_diff_density_max         0.243
_refine_diff_density_min         -0.227
_refine_diff_density_rms         0.050
_refine_ls_extinction_coef       0.0091(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     295
_refine_ls_number_reflns         4904
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.1139
_refine_ls_R_factor_gt           0.0546
_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)+(0.0523P)²+0.8584P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1164
_refine_ls_wR_factor_ref         0.1442
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2823
_reflns_number_total             4904
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4cc03953j2.cif
_cod_data_source_block           KA1169_0m
_cod_depositor_comments          'Adding full bibliography for 7133766.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7133766
_shelx_shelxl_version_number     2019/3
_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_min   0.976
_shelx_estimated_absorpt_t_max   0.988
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
C1 C 0.1925(2) 0.5923(2) 0.62330(16) 0.0607(7) Uani 1 1 d . . . . .
H1 H 0.213123 0.609778 0.681909 0.073 Uiso 1 1 calc R U . . .
C2 C 0.1385(3) 0.6759(2) 0.56812(19) 0.0673(7) Uani 1 1 d . . . . .
H2 H 0.122667 0.750086 0.589800 0.081 Uiso 1 1 calc R U . . .
C3 C 0.1073(2) 0.6529(2) 0.48129(17) 0.0598(7) Uani 1 1 d . . . . .
H3 H 0.071281 0.711080 0.444356 0.072 Uiso 1 1 calc R U . . .
C4 C 0.1296(2) 0.54334(19) 0.44961(15) 0.0481(5) Uani 1 1 d . . . . .
H4 H 0.107716 0.527733 0.390814 0.058 Uiso 1 1 calc R U . . .
C5 C 0.18431(18) 0.45431(18) 0.50328(13) 0.0387(5) Uani 1 1 d . . . . .
C6 C 0.21693(19) 0.47930(19) 0.59160(13) 0.0441(5) Uani 1 1 d . . . . .
C7 C 0.29194(19) 0.2792(2) 0.61956(13) 0.0462(5) Uani 1 1 d . . . . .
C8 C 0.25853(17) 0.25326(18) 0.52812(12) 0.0370(5) Uani 1 1 d . . . . .
C9 C 0.20766(17) 0.33702(17) 0.47187(12) 0.0348(4) Uani 1 1 d . . . . .
C10 C 0.3149(3) 0.4209(3) 0.73817(15) 0.0718(8) Uani 1 1 d . . . . .
H10A H 0.366283 0.488476 0.741113 0.108 Uiso 1 1 calc R U . . .
H10B H 0.357448 0.354323 0.765303 0.108 Uiso 1 1 calc R U . . .
H10C H 0.248486 0.438134 0.767802 0.108 Uiso 1 1 calc R U . . .
C11 C 0.17290(18) 0.30569(17) 0.38075(12) 0.0368(5) Uani 1 1 d . . . . .
H11 H 0.121427 0.355454 0.345989 0.044 Uiso 1 1 calc R U . . .
C12 C 0.21235(17) 0.20817(17) 0.34551(12) 0.0348(4) Uani 1 1 d . . . . .
C13 C 0.30118(18) 0.12979(17) 0.40076(12) 0.0366(5) Uani 1 1 d . . . . .
H13 H 0.293049 0.048977 0.377734 0.044 Uiso 1 1 calc R U . . .
C14 C 0.27693(18) 0.12753(17) 0.49596(13) 0.0393(5) Uani 1 1 d . . . . .
C15 C 0.1658(2) 0.0536(2) 0.50305(16) 0.0537(6) Uani 1 1 d . . . . .
C16 C 0.17044(17) 0.17652(17) 0.25359(13) 0.0378(5) Uani 1 1 d . . . . .
C17 C 0.1582(2) 0.2629(2) 0.18979(14) 0.0504(6) Uani 1 1 d . . . . .
H17 H 0.178547 0.340719 0.204509 0.060 Uiso 1 1 calc R U . . .
C18 C 0.1161(2) 0.2350(3) 0.10462(15) 0.0639(7) Uani 1 1 d . . . . .
H18 H 0.109318 0.293939 0.062391 0.077 Uiso 1 1 calc R U . . .
C19 C 0.0846(2) 0.1218(3) 0.08215(16) 0.0689(8) Uani 1 1 d . . . . .
H19 H 0.055939 0.103277 0.024773 0.083 Uiso 1 1 calc R U . . .
C20 C 0.0952(2) 0.0353(2) 0.14447(17) 0.0673(8) Uani 1 1 d . . . . .
H20 H 0.072658 -0.041805 0.129185 0.081 Uiso 1 1 calc R U . . .
C21 C 0.1391(2) 0.0612(2) 0.22997(15) 0.0502(6) Uani 1 1 d . . . . .
H21 H 0.147523 0.001396 0.271479 0.060 Uiso 1 1 calc R U . . .
C22 C 0.42938(18) 0.17026(19) 0.39939(13) 0.0427(5) Uani 1 1 d . . . . .
H22A H 0.435962 0.251562 0.419605 0.051 Uiso 1 1 calc R U . . .
H22B H 0.480196 0.122654 0.441075 0.051 Uiso 1 1 calc R U . . .
C23 C 0.4759(2) 0.1642(2) 0.31586(16) 0.0571(6) Uani 1 1 d . . . . .
N1 N 0.27277(16) 0.39277(17) 0.64669(11) 0.0480(5) Uani 1 1 d . . . . .
O1 O 0.33672(16) 0.20365(16) 0.67267(10) 0.0637(5) Uani 1 1 d . . . . .
O2 O 0.37095(15) 0.06716(15) 0.54534(11) 0.0547(4) Uani 1 1 d . . . . .
H2O H 0.375(3) 0.092(3) 0.600(2) 0.106(12) Uiso 1 1 d . . . . .
F1 F 0.14484(15) 0.04469(17) 0.58457(10) 0.0883(6) Uani 1 1 d . . . . .
F2 F 0.06723(12) 0.09722(13) 0.45887(10) 0.0683(4) Uani 1 1 d . . . . .
F3 F 0.17528(16) -0.05582(13) 0.47343(13) 0.0924(6) Uani 1 1 d . . . . .
F4 F 0.42510(14) 0.24085(18) 0.25592(10) 0.0898(6) Uani 1 1 d . . . . .
F5 F 0.59081(13) 0.19010(18) 0.32475(11) 0.0906(6) Uani 1 1 d . . . . .
F6 F 0.46418(17) 0.05779(17) 0.27919(11) 0.0965(6) Uani 1 1 d . . . . .
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'
F F 0.0171 0.0103 '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
C2 C1 C6 120.1(2) . . ?
C2 C1 H1 120.0 . . ?
C6 C1 H1 120.0 . . ?
C1 C2 C3 121.3(2) . . ?
C1 C2 H2 119.3 . . ?
C3 C2 H2 119.3 . . ?
C4 C3 C2 119.3(2) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C3 C4 C5 121.7(2) . . ?
C3 C4 H4 119.1 . . ?
C5 C4 H4 119.1 . . ?
C4 C5 C6 118.43(19) . . ?
C4 C5 C9 123.00(18) . . ?
C6 C5 C9 118.56(19) . . ?
N1 C6 C5 119.84(19) . . ?
N1 C6 C1 121.1(2) . . ?
C5 C6 C1 119.1(2) . . ?
O1 C7 N1 120.18(19) . . ?
O1 C7 C8 122.6(2) . . ?
N1 C7 C8 117.19(19) . . ?
C9 C8 C7 121.32(19) . . ?
C9 C8 C14 120.05(17) . . ?
C7 C8 C14 118.59(18) . . ?
C8 C9 C5 120.04(18) . . ?
C8 C9 C11 119.24(18) . . ?
C5 C9 C11 120.67(17) . . ?
N1 C10 H10A 109.5 . . ?
N1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C9 122.39(18) . . ?
C12 C11 H11 118.8 . . ?
C9 C11 H11 118.8 . . ?
C11 C12 C16 120.71(18) . . ?
C11 C12 C13 119.03(17) . . ?
C16 C12 C13 120.26(16) . . ?
C12 C13 C22 112.41(16) . . ?
C12 C13 C14 110.93(16) . . ?
C22 C13 C14 108.43(16) . . ?
C12 C13 H13 108.3 . . ?
C22 C13 H13 108.3 . . ?
C14 C13 H13 108.3 . . ?
O2 C14 C8 113.63(17) . . ?
O2 C14 C15 105.84(16) . . ?
C8 C14 C15 109.22(17) . . ?
O2 C14 C13 107.85(17) . . ?
C8 C14 C13 110.43(15) . . ?
C15 C14 C13 109.73(17) . . ?
F1 C15 F2 105.7(2) . . ?
F1 C15 F3 107.1(2) . . ?
F2 C15 F3 105.7(2) . . ?
F1 C15 C14 111.7(2) . . ?
F2 C15 C14 114.21(18) . . ?
F3 C15 C14 111.9(2) . . ?
C17 C16 C21 118.38(19) . . ?
C17 C16 C12 120.43(18) . . ?
C21 C16 C12 121.16(18) . . ?
C18 C17 C16 120.9(2) . . ?
C18 C17 H17 119.5 . . ?
C16 C17 H17 119.5 . . ?
C19 C18 C17 120.3(2) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C18 C19 C20 119.6(2) . . ?
C18 C19 H19 120.2 . . ?
C20 C19 H19 120.2 . . ?
C19 C20 C21 120.9(2) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 H20 119.6 . . ?
C20 C21 C16 119.9(2) . . ?
C20 C21 H21 120.1 . . ?
C16 C21 H21 120.1 . . ?
C23 C22 C13 117.35(18) . . ?
C23 C22 H22A 108.0 . . ?
C13 C22 H22A 108.0 . . ?
C23 C22 H22B 108.0 . . ?
C13 C22 H22B 108.0 . . ?
H22A C22 H22B 107.2 . . ?
F6 C23 F5 106.4(2) . . ?
F6 C23 F4 106.1(2) . . ?
F5 C23 F4 104.8(2) . . ?
F6 C23 C22 113.2(2) . . ?
F5 C23 C22 111.6(2) . . ?
F4 C23 C22 114.1(2) . . ?
C7 N1 C6 122.92(17) . . ?
C7 N1 C10 116.9(2) . . ?
C6 N1 C10 120.2(2) . . ?
C14 O2 H2O 108(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
C1 C2 1.364(4) . ?
C1 C6 1.409(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.372(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.368(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.397(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.400(3) . ?
C5 C9 1.449(3) . ?
C6 N1 1.394(3) . ?
C7 O1 1.246(3) . ?
C7 N1 1.377(3) . ?
C7 C8 1.449(3) . ?
C8 C9 1.362(3) . ?
C8 C14 1.529(3) . ?
C9 C11 1.460(3) . ?
C10 N1 1.471(3) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.336(3) . ?
C11 H11 0.9300 . ?
C12 C16 1.486(3) . ?
C12 C13 1.519(3) . ?
C13 C22 1.536(3) . ?
C13 C14 1.543(3) . ?
C13 H13 0.9800 . ?
C14 O2 1.406(2) . ?
C14 C15 1.536(3) . ?
C15 F1 1.325(3) . ?
C15 F2 1.328(3) . ?
C15 F3 1.328(3) . ?
C16 C17 1.384(3) . ?
C16 C21 1.386(3) . ?
C17 C18 1.380(3) . ?
C17 H17 0.9300 . ?
C18 C19 1.361(4) . ?
C18 H18 0.9300 . ?
C19 C20 1.369(4) . ?
C19 H19 0.9300 . ?
C20 C21 1.385(3) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C23 1.470(3) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 F6 1.329(3) . ?
C23 F5 1.333(3) . ?
C23 F4 1.342(3) . ?
O2 H2O 0.89(3) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O2 H2O O1 0.89(3) 1.79(3) 2.580(2) 148(3) . yes
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
C6 C1 C2 C3 -0.2(4) . . . . ?
C1 C2 C3 C4 0.7(4) . . . . ?
C2 C3 C4 C5 -0.5(4) . . . . ?
C3 C4 C5 C6 -0.2(3) . . . . ?
C3 C4 C5 C9 179.1(2) . . . . ?
C4 C5 C6 N1 -179.36(19) . . . . ?
C9 C5 C6 N1 1.3(3) . . . . ?
C4 C5 C6 C1 0.7(3) . . . . ?
C9 C5 C6 C1 -178.7(2) . . . . ?
C2 C1 C6 N1 179.5(2) . . . . ?
C2 C1 C6 C5 -0.5(4) . . . . ?
O1 C7 C8 C9 178.7(2) . . . . ?
N1 C7 C8 C9 -1.6(3) . . . . ?
O1 C7 C8 C14 1.2(3) . . . . ?
N1 C7 C8 C14 -179.14(18) . . . . ?
C7 C8 C9 C5 -0.9(3) . . . . ?
C14 C8 C9 C5 176.62(17) . . . . ?
C7 C8 C9 C11 -178.48(18) . . . . ?
C14 C8 C9 C11 -1.0(3) . . . . ?
C4 C5 C9 C8 -178.3(2) . . . . ?
C6 C5 C9 C8 1.0(3) . . . . ?
C4 C5 C9 C11 -0.7(3) . . . . ?
C6 C5 C9 C11 178.60(18) . . . . ?
C8 C9 C11 C12 -15.8(3) . . . . ?
C5 C9 C11 C12 166.68(19) . . . . ?
C9 C11 C12 C16 177.10(18) . . . . ?
C9 C11 C12 C13 -3.0(3) . . . . ?
C11 C12 C13 C22 -86.5(2) . . . . ?
C16 C12 C13 C22 93.3(2) . . . . ?
C11 C12 C13 C14 35.1(2) . . . . ?
C16 C12 C13 C14 -145.07(18) . . . . ?
C9 C8 C14 O2 153.79(18) . . . . ?
C7 C8 C14 O2 -28.6(3) . . . . ?
C9 C8 C14 C15 -88.3(2) . . . . ?
C7 C8 C14 C15 89.3(2) . . . . ?
C9 C8 C14 C13 32.5(3) . . . . ?
C7 C8 C14 C13 -149.96(18) . . . . ?
C12 C13 C14 O2 -172.13(16) . . . . ?
C22 C13 C14 O2 -48.2(2) . . . . ?
C12 C13 C14 C8 -47.4(2) . . . . ?
C22 C13 C14 C8 76.5(2) . . . . ?
C12 C13 C14 C15 73.0(2) . . . . ?
C22 C13 C14 C15 -163.08(17) . . . . ?
O2 C14 C15 F1 60.9(2) . . . . ?
C8 C14 C15 F1 -61.8(2) . . . . ?
C13 C14 C15 F1 177.03(18) . . . . ?
O2 C14 C15 F2 -179.20(19) . . . . ?
C8 C14 C15 F2 58.1(2) . . . . ?
C13 C14 C15 F2 -63.1(2) . . . . ?
O2 C14 C15 F3 -59.2(2) . . . . ?
C8 C14 C15 F3 178.08(18) . . . . ?
C13 C14 C15 F3 56.9(2) . . . . ?
C11 C12 C16 C17 41.8(3) . . . . ?
C13 C12 C16 C17 -138.0(2) . . . . ?
C11 C12 C16 C21 -136.0(2) . . . . ?
C13 C12 C16 C21 44.1(3) . . . . ?
C21 C16 C17 C18 -0.2(3) . . . . ?
C12 C16 C17 C18 -178.1(2) . . . . ?
C16 C17 C18 C19 0.8(4) . . . . ?
C17 C18 C19 C20 -0.3(4) . . . . ?
C18 C19 C20 C21 -0.8(4) . . . . ?
C19 C20 C21 C16 1.4(4) . . . . ?
C17 C16 C21 C20 -0.9(3) . . . . ?
C12 C16 C21 C20 177.0(2) . . . . ?
C12 C13 C22 C23 -64.5(3) . . . . ?
C14 C13 C22 C23 172.45(19) . . . . ?
C13 C22 C23 F6 -53.7(3) . . . . ?
C13 C22 C23 F5 -173.7(2) . . . . ?
C13 C22 C23 F4 67.8(3) . . . . ?
O1 C7 N1 C6 -176.2(2) . . . . ?
C8 C7 N1 C6 4.1(3) . . . . ?
O1 C7 N1 C10 4.1(3) . . . . ?
C8 C7 N1 C10 -175.6(2) . . . . ?
C5 C6 N1 C7 -4.0(3) . . . . ?
C1 C6 N1 C7 176.0(2) . . . . ?
C5 C6 N1 C10 175.7(2) . . . . ?
C1 C6 N1 C10 -4.4(3) . . . . ?
