#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/05/7150520.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_7150520
loop_
_publ_author_name
'Chambers, Richard D.'
'Hoskin, Philip R.'
'Kenwright, Alan R.'
'Khalil, Ali'
'Richmond, Paul'
'Sandford, Graham'
'Yufit, Dmitrii S.'
'Howard, Judith A. K.'
_publ_section_title
;
 Polyhalogenated heterocyclic compounds. Macrocycles from
 perfluoro-4-isopropylpyridinePart 50. For part 49 see ref. 1.
;
_journal_issue                   12
_journal_name_full               'Organic &  Biomolecular Chemistry'
_journal_page_first              2137
_journal_paper_doi               10.1039/b303443g
_journal_volume                  1
_journal_year                    2003
_chemical_formula_sum            'C24 H16 F18 N2 O6'
_chemical_formula_weight         770.39
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.960(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.0542(4)
_cell_length_b                   14.1784(5)
_cell_length_c                   18.7552(6)
_cell_measurement_reflns_used    5732
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      24.6
_cell_measurement_theta_min      2.4
_cell_volume                     2864.64(17)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.916
_diffrn_measured_fraction_theta_max 0.916
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0287
_diffrn_reflns_av_sigmaI/netI    0.0182
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            33009
_diffrn_reflns_theta_full        30.20
_diffrn_reflns_theta_max         30.20
_diffrn_reflns_theta_min         1.89
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.202
_exptl_absorpt_correction_T_max  0.9382
_exptl_absorpt_correction_T_min  0.9308
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.786
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.674
_refine_diff_density_min         -0.314
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     515
_refine_ls_number_reflns         7801
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_gt           0.0439
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0500P)²+2.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1101
_refine_ls_wR_factor_ref         0.1175
_reflns_number_gt                6566
_reflns_number_total             7801
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b303443g.txt
_cod_data_source_block           s138
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7150520
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.48760(11) 0.76539(8) 0.74768(6) 0.0249(2) Uani 1 1 d . . .
O2 O 0.35690(12) 0.89455(8) 0.64123(6) 0.0272(2) Uani 1 1 d . . .
O3 O 0.53169(10) 1.02018(9) 0.59030(6) 0.0257(2) Uani 1 1 d . . .
O4 O 0.53814(10) 1.04922(8) 0.83950(6) 0.0238(2) Uani 1 1 d . . .
O5 O 0.36114(11) 0.94170(8) 0.89712(6) 0.0246(2) Uani 1 1 d . . .
O6 O 0.44361(10) 0.77572(8) 0.98759(6) 0.0239(2) Uani 1 1 d . . .
N1 N 0.46588(11) 0.76563(9) 0.86756(7) 0.0203(2) Uani 1 1 d . . .
N2 N 0.53081(11) 1.03696(9) 0.71465(7) 0.0196(2) Uani 1 1 d . . .
C1 C 0.51619(13) 0.76964(10) 0.93832(8) 0.0202(3) Uani 1 1 d . . .
C2 C 0.64472(14) 0.76690(11) 0.96466(8) 0.0218(3) Uani 1 1 d . . .
C3 C 0.72434(14) 0.76541(10) 0.91597(8) 0.0220(3) Uani 1 1 d . . .
C4 C 0.66775(14) 0.76437(11) 0.84202(9) 0.0230(3) Uani 1 1 d . . .
C5 C 0.53788(14) 0.76491(10) 0.82000(8) 0.0209(3) Uani 1 1 d . . .
C6 C 0.35375(15) 0.77534(11) 0.72732(9) 0.0246(3) Uani 1 1 d . . .
C7 C 0.32086(17) 0.79951(11) 0.64716(9) 0.0273(3) Uani 1 1 d . . .
C8 C 0.34161(15) 0.92707(11) 0.56829(8) 0.0247(3) Uani 1 1 d . . .
C9 C 0.39744(14) 1.02432(11) 0.57111(8) 0.0216(3) Uani 1 1 d . . .
C10 C 0.59070(14) 1.02072(10) 0.66162(8) 0.0208(3) Uani 1 1 d . . .
C11 C 0.71835(14) 1.00603(11) 0.67671(8) 0.0232(3) Uani 1 1 d . . .
C12 C 0.78915(14) 1.00865(11) 0.74811(8) 0.0227(3) Uani 1 1 d . . .
C13 C 0.72341(14) 1.02335(11) 0.80249(8) 0.0232(3) Uani 1 1 d . . .
C14 C 0.59473(13) 1.03607(10) 0.78351(8) 0.0197(3) Uani 1 1 d . . .
C15 C 0.40503(14) 1.06492(11) 0.82142(8) 0.0228(3) Uani 1 1 d . . .
C16 C 0.35793(15) 1.04136(11) 0.88869(9) 0.0230(3) Uani 1 1 d . . .
C17 C 0.30437(15) 0.91082(12) 0.95400(9) 0.0252(3) Uani 1 1 d . . .
C18 C 0.31528(14) 0.80475(12) 0.95924(9) 0.0250(3) Uani 1 1 d . . .
C19 C 0.86583(14) 0.76127(12) 0.94186(9) 0.0253(3) Uani 1 1 d . . .
C20 C 0.90869(15) 0.65787(13) 0.95844(11) 0.0320(4) Uani 1 1 d . . .
C21 C 0.92244(16) 0.82770(15) 1.00734(10) 0.0354(4) Uani 1 1 d . . .
C22 C 0.93074(15) 1.00575(13) 0.76479(9) 0.0287(3) Uani 1 1 d . . .
C23 C 0.97940(16) 1.10486(15) 0.74927(10) 0.0353(4) Uani 1 1 d . . .
C24 C 0.98814(17) 0.92548(15) 0.72592(11) 0.0387(4) Uani 1 1 d . . .
F1 F 0.69087(9) 0.76533(7) 1.03735(5) 0.0288(2) Uani 1 1 d . . .
F2 F 0.73234(9) 0.76170(8) 0.78907(5) 0.0315(2) Uani 1 1 d . . .
F3 F 0.92073(9) 0.79072(8) 0.88668(6) 0.0336(2) Uani 1 1 d . . .
F4 F 0.87407(10) 0.60705(8) 0.89798(7) 0.0388(3) Uani 1 1 d . . .
F5 F 0.85953(10) 0.61926(9) 1.01001(7) 0.0412(3) Uani 1 1 d . . .
F6 F 1.03264(10) 0.65294(9) 0.98023(8) 0.0476(3) Uani 1 1 d . . .
F7 F 0.92754(11) 0.78674(11) 1.07173(6) 0.0492(3) Uani 1 1 d . . .
F8 F 1.03866(10) 0.85008(10) 1.00506(7) 0.0495(3) Uani 1 1 d . . .
F9 F 0.85722(11) 0.90689(9) 1.00431(7) 0.0459(3) Uani 1 1 d . . .
F10 F 0.77263(9) 0.99142(8) 0.61993(5) 0.0322(2) Uani 1 1 d . . .
F11 F 0.77984(9) 1.02945(9) 0.87399(5) 0.0365(3) Uani 1 1 d . . .
F12 F 0.97752(10) 0.99085(9) 0.83840(6) 0.0401(3) Uani 1 1 d . . .
F13 F 0.94403(12) 1.16757(9) 0.79374(7) 0.0468(3) Uani 1 1 d . . .
F14 F 0.93412(10) 1.13259(8) 0.68103(6) 0.0368(2) Uani 1 1 d . . .
F15 F 1.10310(10) 1.10597(11) 0.76198(7) 0.0531(4) Uani 1 1 d . . .
F16 F 1.00778(11) 0.95127(9) 0.66115(6) 0.0425(3) Uani 1 1 d . . .
F17 F 0.91492(12) 0.85006(9) 0.71639(8) 0.0511(3) Uani 1 1 d . . .
F18 F 1.09814(12) 0.90045(12) 0.76757(8) 0.0610(4) Uani 1 1 d . . .
H61 H 0.3290(18) 0.8260(14) 0.7543(10) 0.023(5) Uiso 1 1 d . . .
H62 H 0.319(2) 0.7170(16) 0.7368(11) 0.031(5) Uiso 1 1 d . . .
H71 H 0.363(2) 0.7566(15) 0.6194(12) 0.032(5) Uiso 1 1 d . . .
H72 H 0.231(2) 0.7907(15) 0.6296(11) 0.029(5) Uiso 1 1 d . . .
H81 H 0.3824(19) 0.8862(15) 0.5394(11) 0.027(5) Uiso 1 1 d . . .
H82 H 0.252(2) 0.9302(16) 0.5435(13) 0.040(6) Uiso 1 1 d . . .
H91 H 0.3660(18) 1.0632(14) 0.6046(10) 0.022(4) Uiso 1 1 d . . .
H92 H 0.3780(18) 1.0532(14) 0.5224(11) 0.023(5) Uiso 1 1 d . . .
H151 H 0.366(2) 1.0249(15) 0.7820(12) 0.030(5) Uiso 1 1 d . . .
H152 H 0.3877(19) 1.1291(16) 0.8077(11) 0.029(5) Uiso 1 1 d . . .
H161 H 0.2732(18) 1.0648(13) 0.8835(10) 0.021(4) Uiso 1 1 d . . .
H162 H 0.408(2) 1.0724(16) 0.9322(12) 0.034(5) Uiso 1 1 d . . .
H171 H 0.3428(19) 0.9396(14) 0.9999(11) 0.026(5) Uiso 1 1 d . . .
H172 H 0.2190(19) 0.9270(14) 0.9434(11) 0.024(5) Uiso 1 1 d . . .
H181 H 0.2826(18) 0.7751(14) 0.9118(11) 0.025(5) Uiso 1 1 d . . .
H182 H 0.2731(19) 0.7809(15) 0.9943(11) 0.029(5) Uiso 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
C5 O1 C6 115.63(12) . . ?
C7 O2 C8 114.23(12) . . ?
C10 O3 C9 119.12(11) . . ?
C14 O4 C15 117.50(11) . . ?
C16 O5 C17 112.65(11) . . ?
C1 O6 C18 116.45(11) . . ?
C1 N1 C5 119.80(13) . . ?
C14 N2 C10 118.68(13) . . ?
N1 C1 O6 120.51(13) . . ?
N1 C1 C2 121.36(13) . . ?
O6 C1 C2 118.13(13) . . ?
F1 C2 C1 118.94(13) . . ?
F1 C2 C3 120.58(13) . . ?
C1 C2 C3 120.47(14) . . ?
C4 C3 C2 116.27(14) . . ?
C4 C3 C19 121.06(13) . . ?
C2 C3 C19 122.63(14) . . ?
F2 C4 C3 122.84(14) . . ?
F2 C4 C5 117.39(14) . . ?
C3 C4 C5 119.77(14) . . ?
N1 C5 O1 120.33(13) . . ?
N1 C5 C4 122.21(14) . . ?
O1 C5 C4 117.45(13) . . ?
O1 C6 C7 106.80(13) . . ?
O2 C7 C6 106.61(13) . . ?
O2 C8 C9 107.74(12) . . ?
O3 C9 C8 111.14(13) . . ?
N2 C10 O3 121.99(13) . . ?
N2 C10 C11 121.67(13) . . ?
O3 C10 C11 116.32(13) . . ?
F10 C11 C12 120.62(13) . . ?
F10 C11 C10 118.18(13) . . ?
C12 C11 C10 121.18(13) . . ?
C11 C12 C13 115.78(14) . . ?
C11 C12 C22 121.74(13) . . ?
C13 C12 C22 122.19(14) . . ?
F11 C13 C12 122.42(14) . . ?
F11 C13 C14 117.52(13) . . ?
C12 C13 C14 120.02(13) . . ?
N2 C14 O4 121.17(13) . . ?
N2 C14 C13 122.59(13) . . ?
O4 C14 C13 116.23(13) . . ?
O4 C15 C16 107.05(12) . . ?
O5 C16 C15 107.99(12) . . ?
O5 C17 C18 108.24(12) . . ?
O6 C18 C17 111.21(13) . . ?
F3 C19 C3 109.94(13) . . ?
F3 C19 C20 105.73(13) . . ?
C3 C19 C20 110.13(13) . . ?
F3 C19 C21 103.98(13) . . ?
C3 C19 C21 115.26(13) . . ?
C20 C19 C21 111.21(14) . . ?
F4 C20 F5 108.18(15) . . ?
F4 C20 F6 108.16(14) . . ?
F5 C20 F6 108.27(15) . . ?
F4 C20 C19 109.01(14) . . ?
F5 C20 C19 112.27(14) . . ?
F6 C20 C19 110.84(14) . . ?
F9 C21 F7 108.66(15) . . ?
F9 C21 F8 108.37(16) . . ?
F7 C21 F8 106.74(15) . . ?
F9 C21 C19 110.97(15) . . ?
F7 C21 C19 112.24(16) . . ?
F8 C21 C19 109.71(14) . . ?
F12 C22 C12 110.29(13) . . ?
F12 C22 C23 104.97(14) . . ?
C12 C22 C23 108.61(14) . . ?
F12 C22 C24 104.81(14) . . ?
C12 C22 C24 115.43(15) . . ?
C23 C22 C24 112.17(14) . . ?
F14 C23 F15 108.60(15) . . ?
F14 C23 F13 107.78(16) . . ?
F15 C23 F13 108.20(15) . . ?
F14 C23 C22 112.17(15) . . ?
F15 C23 C22 111.16(16) . . ?
F13 C23 C22 108.82(14) . . ?
F17 C24 F16 108.49(18) . . ?
F17 C24 F18 108.16(17) . . ?
F16 C24 F18 107.01(15) . . ?
F17 C24 C22 110.51(14) . . ?
F16 C24 C22 113.09(16) . . ?
F18 C24 C22 109.41(17) . . ?
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
O1 C5 1.3456(18) . ?
O1 C6 1.4497(19) . ?
O2 C7 1.4165(19) . ?
O2 C8 1.4173(19) . ?
O3 C10 1.3503(18) . ?
O3 C9 1.4476(18) . ?
O4 C14 1.3504(17) . ?
O4 C15 1.4511(18) . ?
O5 C16 1.4215(18) . ?
O5 C17 1.4225(17) . ?
O6 C1 1.3555(17) . ?
O6 C18 1.4581(18) . ?
N1 C1 1.3202(19) . ?
N1 C5 1.3219(19) . ?
N2 C14 1.3259(19) . ?
N2 C10 1.3326(18) . ?
C1 C2 1.396(2) . ?
C2 F1 1.3444(17) . ?
C2 C3 1.403(2) . ?
C3 C4 1.388(2) . ?
C3 C19 1.531(2) . ?
C4 F2 1.3473(17) . ?
C4 C5 1.402(2) . ?
C6 C7 1.505(2) . ?
C8 C9 1.507(2) . ?
C10 C11 1.391(2) . ?
C11 F10 1.3504(16) . ?
C11 C12 1.392(2) . ?
C12 C13 1.394(2) . ?
C12 C22 1.526(2) . ?
C13 F11 1.3489(17) . ?
C13 C14 1.398(2) . ?
C15 C16 1.506(2) . ?
C17 C18 1.510(2) . ?
C19 F3 1.3768(18) . ?
C19 C20 1.551(2) . ?
C19 C21 1.563(2) . ?
C20 F4 1.325(2) . ?
C20 F5 1.329(2) . ?
C20 F6 1.3409(19) . ?
C21 F9 1.329(2) . ?
C21 F7 1.330(2) . ?
C21 F8 1.333(2) . ?
C22 F12 1.3776(19) . ?
C22 C23 1.555(3) . ?
C22 C24 1.561(3) . ?
C23 F14 1.325(2) . ?
C23 F15 1.334(2) . ?
C23 F13 1.336(2) . ?
C24 F17 1.329(2) . ?
C24 F16 1.332(2) . ?
C24 F18 1.337(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
C5 N1 C1 O6 176.33(13) . . . . ?
C5 N1 C1 C2 -4.3(2) . . . . ?
C18 O6 C1 N1 -17.2(2) . . . . ?
C18 O6 C1 C2 163.35(13) . . . . ?
N1 C1 C2 F1 -175.94(13) . . . . ?
O6 C1 C2 F1 3.5(2) . . . . ?
N1 C1 C2 C3 3.8(2) . . . . ?
O6 C1 C2 C3 -176.78(13) . . . . ?
F1 C2 C3 C4 178.14(13) . . . . ?
C1 C2 C3 C4 -1.6(2) . . . . ?
F1 C2 C3 C19 0.4(2) . . . . ?
C1 C2 C3 C19 -179.29(14) . . . . ?
C2 C3 C4 F2 -179.14(14) . . . . ?
C19 C3 C4 F2 -1.4(2) . . . . ?
C2 C3 C4 C5 0.0(2) . . . . ?
C19 C3 C4 C5 177.78(14) . . . . ?
C1 N1 C5 O1 -176.81(13) . . . . ?
C1 N1 C5 C4 2.7(2) . . . . ?
C6 O1 C5 N1 5.36(19) . . . . ?
C6 O1 C5 C4 -174.15(13) . . . . ?
F2 C4 C5 N1 178.68(13) . . . . ?
C3 C4 C5 N1 -0.5(2) . . . . ?
F2 C4 C5 O1 -1.8(2) . . . . ?
C3 C4 C5 O1 178.95(13) . . . . ?
C5 O1 C6 C7 165.54(12) . . . . ?
C8 O2 C7 C6 175.22(13) . . . . ?
O1 C6 C7 O2 -73.68(16) . . . . ?
C7 O2 C8 C9 -173.46(13) . . . . ?
C10 O3 C9 C8 -87.71(16) . . . . ?
O2 C8 C9 O3 73.19(16) . . . . ?
C14 N2 C10 O3 179.77(13) . . . . ?
C14 N2 C10 C11 -2.1(2) . . . . ?
C9 O3 C10 N2 -8.7(2) . . . . ?
C9 O3 C10 C11 173.07(13) . . . . ?
N2 C10 C11 F10 -179.02(13) . . . . ?
O3 C10 C11 F10 -0.8(2) . . . . ?
N2 C10 C11 C12 -0.6(2) . . . . ?
O3 C10 C11 C12 177.59(14) . . . . ?
F10 C11 C12 C13 -179.45(14) . . . . ?
C10 C11 C12 C13 2.2(2) . . . . ?
F10 C11 C12 C22 6.6(2) . . . . ?
C10 C11 C12 C22 -171.74(15) . . . . ?
C11 C12 C13 F11 -178.63(15) . . . . ?
C22 C12 C13 F11 -4.7(2) . . . . ?
C11 C12 C13 C14 -1.2(2) . . . . ?
C22 C12 C13 C14 172.76(15) . . . . ?
C10 N2 C14 O4 -177.95(13) . . . . ?
C10 N2 C14 C13 3.2(2) . . . . ?
C15 O4 C14 N2 -0.4(2) . . . . ?
C15 O4 C14 C13 178.53(13) . . . . ?
F11 C13 C14 N2 176.04(14) . . . . ?
C12 C13 C14 N2 -1.6(2) . . . . ?
F11 C13 C14 O4 -2.9(2) . . . . ?
C12 C13 C14 O4 179.55(14) . . . . ?
C14 O4 C15 C16 159.21(13) . . . . ?
C17 O5 C16 C15 -172.80(13) . . . . ?
O4 C15 C16 O5 -72.88(15) . . . . ?
C16 O5 C17 C18 -178.83(13) . . . . ?
C1 O6 C18 C17 -83.71(16) . . . . ?
O5 C17 C18 O6 69.53(17) . . . . ?
C4 C3 C19 F3 21.7(2) . . . . ?
C2 C3 C19 F3 -160.70(14) . . . . ?
C4 C3 C19 C20 -94.40(17) . . . . ?
C2 C3 C19 C20 83.18(18) . . . . ?
C4 C3 C19 C21 138.80(16) . . . . ?
C2 C3 C19 C21 -43.6(2) . . . . ?
F3 C19 C20 F4 -58.52(16) . . . . ?
C3 C19 C20 F4 60.21(17) . . . . ?
C21 C19 C20 F4 -170.76(13) . . . . ?
F3 C19 C20 F5 -178.37(13) . . . . ?
C3 C19 C20 F5 -59.64(18) . . . . ?
C21 C19 C20 F5 69.39(18) . . . . ?
F3 C19 C20 F6 60.41(18) . . . . ?
C3 C19 C20 F6 179.14(14) . . . . ?
C21 C19 C20 F6 -51.83(19) . . . . ?
F3 C19 C21 F9 86.94(16) . . . . ?
C3 C19 C21 F9 -33.5(2) . . . . ?
C20 C19 C21 F9 -159.72(15) . . . . ?
F3 C19 C21 F7 -151.27(14) . . . . ?
C3 C19 C21 F7 88.32(18) . . . . ?
C20 C19 C21 F7 -37.92(19) . . . . ?
F3 C19 C21 F8 -32.8(2) . . . . ?
C3 C19 C21 F8 -153.18(15) . . . . ?
C20 C19 C21 F8 80.57(19) . . . . ?
C11 C12 C22 F12 -168.41(15) . . . . ?
C13 C12 C22 F12 18.0(2) . . . . ?
C11 C12 C22 C23 77.07(19) . . . . ?
C13 C12 C22 C23 -96.49(18) . . . . ?
C11 C12 C22 C24 -49.9(2) . . . . ?
C13 C12 C22 C24 136.56(16) . . . . ?
F12 C22 C23 F14 -175.25(14) . . . . ?
C12 C22 C23 F14 -57.29(19) . . . . ?
C24 C22 C23 F14 71.50(19) . . . . ?
F12 C22 C23 F15 62.95(18) . . . . ?
C12 C22 C23 F15 -179.09(14) . . . . ?
C24 C22 C23 F15 -50.3(2) . . . . ?
F12 C22 C23 F13 -56.10(17) . . . . ?
C12 C22 C23 F13 61.86(18) . . . . ?
C24 C22 C23 F13 -169.35(15) . . . . ?
F12 C22 C24 F17 90.14(18) . . . . ?
C12 C22 C24 F17 -31.4(2) . . . . ?
C23 C22 C24 F17 -156.52(15) . . . . ?
F12 C22 C24 F16 -148.01(15) . . . . ?
C12 C22 C24 F16 90.45(19) . . . . ?
C23 C22 C24 F16 -34.7(2) . . . . ?
F12 C22 C24 F18 -28.8(2) . . . . ?
C12 C22 C24 F18 -150.37(15) . . . . ?
C23 C22 C24 F18 84.50(19) . . . . ?
loop_
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1 ChemSpider 10330898
