data_global
_audit_creation_method                  'APEX2 v2011.2-RC2'

_publ_requested_journal                 ?

_publ_contact_author_name               ?
_publ_contact_author_address            
;
;
_publ_contact_author_email              ?
_publ_contact_author_fax                ?
_publ_contact_author_phone              ?

_publ_section_title                     
;
;
_publ_section_abstract                  
;
;
_publ_section_references                
;
;
_publ_section_comment                   
;
;

data_I
_chemical_name_systematic               ?
_chemical_name_common                   L-011-TQ
_chemical_formula_moiety                ?
_chemical_formula_sum                   'C10 H6 Cl F6 N O'
_chemical_formula_iupac                 ?
_chemical_formula_weight                305.61

_chemical_melting_point                 ?

_space_group_crystal_system             monoclinic
_space_group_name_H-M_alt               'P 1 21/c 1'
_space_group_name_Hall                  '-P 2ybc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'

_cell_length_a                          19.653(2)
_cell_length_b                          12.4231(15)
_cell_length_c                          9.5355(11)
_cell_angle_alpha                       90
_cell_angle_beta                        94.330(3)
_cell_angle_gamma                       90
_cell_volume                            2321.5(5)
_cell_formula_units_Z                   8
_cell_measurement_reflns_used           9916
_cell_measurement_theta_min             4.2136
_cell_measurement_theta_max             71.1173
_cell_measurement_temperature           100.(2)

_exptl_crystal_description              plate
_exptl_crystal_colour                   'clear colourless'
_exptl_crystal_size_max                 0.790
_exptl_crystal_size_mid                 0.360
_exptl_crystal_size_min                 0.080
_exptl_crystal_density_diffrn           1.749
_exptl_crystal_density_meas             ?
_exptl_crystal_density_method           'not measured'
_exptl_crystal_F_000                    1216

_exptl_absorpt_coefficient_mu           3.656
_exptl_absorpt_correction_type          multi-scan
_exptl_absorpt_process_details          'SADABS V2008/1 (Bruker AXS)'
_exptl_absorpt_correction_T_min         0.22
_exptl_absorpt_correction_T_max         0.77

_exptl_special_details                  
;
; 

_diffrn_ambient_temperature             100.(2)

_diffrn_source                          'ImuS micro-focus source'
_diffrn_source_type                     ?

_diffrn_radiation_type                  Cu
_diffrn_radiation_wavelength            1.54178
_diffrn_radiation_monochromator         ?

_diffrn_measurement_device_type         ?
_diffrn_measurement_method              ?

_diffrn_detector_area_resol_mean        16.6666

_diffrn_reflns_number                   18250
_diffrn_reflns_av_R_equivalents         0.0542
_diffrn_reflns_av_sigmaI/netI           0.0521
_diffrn_reflns_theta_min                2.25
_diffrn_reflns_theta_max                71.28
_diffrn_reflns_theta_full               71.28
_diffrn_measured_fraction_theta_max     0.973
_diffrn_measured_fraction_theta_full    0.973
_diffrn_reflns_limit_h_min              -24
_diffrn_reflns_limit_h_max              23
_diffrn_reflns_limit_k_min              -14
_diffrn_reflns_limit_k_max              15
_diffrn_reflns_limit_l_min              -11
_diffrn_reflns_limit_l_max              11

_refine_special_details                 
;
Refinement of F² against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_reflns_number_total                    4389
_reflns_number_gt                       4139
_reflns_threshold_expression            >2sigma(I)

_refine_ls_structure_factor_coef        Fsqd
_refine_ls_matrix_type                  full
_refine_ls_R_factor_all                 0.0495
_refine_ls_R_factor_gt                  0.0479
_refine_ls_wR_factor_gt                 0.1280
_refine_ls_wR_factor_ref                0.1300
_refine_ls_goodness_of_fit_ref          1.036
_refine_ls_restrained_S_all             1.006
_refine_ls_number_reflns                4389
_refine_ls_number_parameters            512
_refine_ls_number_restraints            977
_refine_ls_hydrogen_treatment           mixed
_refine_ls_weighting_scheme             calc
_refine_ls_weighting_details
    'calc w=1/[σ²(Fo²)+(0.0686P)²+1.7879P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens          geom
_atom_sites_solution_primary            direct
_atom_sites_solution_secondary          difmap

_refine_ls_shift/su_max                 0.065
_refine_ls_shift/su_mean                0.005
_refine_diff_density_max                0.737
_refine_diff_density_min                -0.666
_refine_ls_extinction_method            none
_refine_ls_extinction_coef              ?

loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    Cl Cl 0.3639 0.7018
     'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection              
    'Bruker Instrument Service v2010.13.0.0'
_computing_cell_refinement              'SAINT V7.66A (Bruker AXS, 2009)'
_computing_data_reduction               'SAINT V7.66A (Bruker AXS, 2009)'
_computing_structure_solution           'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement         'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics           ?
_computing_publication_material         ?

loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    C C1 0.48685(10) 0.11894(16) 0.7750(2) 0.0270(4) Uani d . 1.0 A .
    H H1A 0.5154 0.1262 0.6995 0.032 Uiso calc R 1.0 . .
    C C2 0.42166(10) 0.07881(16) 0.7499(2) 0.0283(4) Uani d . 1.0 . .
    C C3 0.37874(10) 0.06717(16) 0.8584(2) 0.0292(4) Uani d . 1.0 A .
    H H3A 0.3338 0.0398 0.8409 0.035 Uiso calc R 1.0 . .
    C C4 0.40352(10) 0.09671(15) 0.9927(2) 0.0277(4) Uani d . 1.0 . .
    C C5 0.46903(10) 0.13682(15) 1.0213(2) 0.0263(4) Uani d . 1.0 A .
    H H5A 0.485 0.1557 1.1145 0.032 Uiso calc R 1.0 . .
    C C6 0.51103(10) 0.14893(15) 0.9106(2) 0.0253(4) Uani d . 1.0 . .
    C C7 0.39795(11) 0.04579(19) 0.6032(2) 0.0373(5) Uani d PD 0.42(9) A 1
    F F1 0.4324(11) -0.0417(12) 0.5636(19) 0.053(3) Uani d PD 0.42(9) A 1
    F F2 0.4069(16) 0.1196(9) 0.5055(17) 0.058(4) Uani d PD 0.42(9) A 1
    F F3 0.3326(5) 0.017(2) 0.5887(18) 0.072(4) Uani d PD 0.42(9) A 1
    C C7' 0.39795(11) 0.04579(19) 0.6032(2) 0.0373(5) Uani d PD 0.58(9) A 2
    F F1' 0.4233(11) -0.0481(8) 0.5668(13) 0.056(2) Uani d PD 0.58(9) A 2
    F F2' 0.4178(11) 0.1178(8) 0.5117(12) 0.057(3) Uani d PD 0.58(9) A 2
    F F3' 0.3306(3) 0.038(2) 0.5866(11) 0.068(3) Uani d PD 0.58(9) A 2
    C C8 0.35873(10) 0.08751(17) 1.1138(2) 0.0332(5) Uani d PD 0.48(9) A 1
    F F4 0.2984(7) 0.044(2) 1.0749(18) 0.053(3) Uani d PD 0.48(9) A 1
    F F5 0.3464(15) 0.1848(9) 1.167(3) 0.058(4) Uani d PD 0.48(9) A 1
    F F6 0.3869(9) 0.0293(19) 1.2183(16) 0.044(3) Uani d PD 0.48(9) A 1
    C C8' 0.35873(10) 0.08751(17) 1.1138(2) 0.0332(5) Uani d PD 0.52(9) A 2
    F F4' 0.3039(9) 0.025(2) 1.0832(17) 0.052(3) Uani d PD 0.52(9) A 2
    F F5' 0.3359(13) 0.1819(10) 1.154(2) 0.051(3) Uani d PD 0.52(9) A 2
    F F6' 0.3920(8) 0.0428(17) 1.2271(12) 0.043(3) Uani d PD 0.52(9) A 2
    N N1 0.57785(8) 0.19153(14) 0.92714(16) 0.0265(3) Uani d . 1.0 A .
    H H1B 0.5975 0.2045 0.849 0.032 Uiso calc R 1.0 . .
    C C9 0.61510(10) 0.21467(15) 1.04784(19) 0.0242(4) Uani d . 1.0 . .
    O O1 0.59585(7) 0.20203(13) 1.16512(14) 0.0331(3) Uani d . 1.0 A .
    C C10 0.68666(10) 0.25493(18) 1.0239(2) 0.0318(4) Uani d . 1.0 A .
    H H10A 0.6855 0.2961 0.9348 0.038 Uiso calc R 1.0 . .
    H H10B 0.7176 0.1928 1.0158 0.038 Uiso calc R 1.0 . .
    Cl Cl1 0.71781(3) 0.33781(5) 1.16434(5) 0.04192(18) Uani d . 1.0 . .
    C C11 0.96090(10) 0.36857(17) 0.9213(2) 0.0297(4) Uani d . 1.0 B .
    H H11A 0.977 0.3509 0.8326 0.036 Uiso calc R 1.0 . .
    C C12 0.89746(10) 0.41722(17) 0.9292(2) 0.0324(4) Uani d . 1.0 . .
    C C13 0.87245(11) 0.44498(17) 1.0563(2) 0.0333(5) Uani d . 1.0 B .
    H H13A 0.8291 0.4782 1.0599 0.04 Uiso calc R 1.0 . .
    C C14 0.91273(11) 0.42263(17) 1.1776(2) 0.0322(4) Uani d . 1.0 . .
    C C15 0.97582(11) 0.37370(16) 1.1734(2) 0.0301(4) Uani d . 1.0 B .
    H H15A 1.0025 0.3588 1.2585 0.036 Uiso calc R 1.0 . .
    C C16 1.00030(10) 0.34632(15) 1.0449(2) 0.0271(4) Uani d . 1.0 . .
    C C17A 0.85503(12) 0.4394(2) 0.7947(3) 0.0457(6) Uani d PD 0.30(2) B 1
    F F7A 0.7885(5) 0.4349(19) 0.8079(17) 0.060(6) Uani d PD 0.30(2) B 1
    F F8A 0.8661(8) 0.3613(11) 0.6983(13) 0.048(4) Uani d PD 0.30(2) B 1
    F F9A 0.8685(12) 0.5304(12) 0.732(2) 0.088(9) Uani d PD 0.30(2) B 1
    C C17B 0.85503(12) 0.4394(2) 0.7947(3) 0.0457(6) Uani d PD 0.21(2) B 2
    F F7B 0.8928(7) 0.471(2) 0.6919(16) 0.050(6) Uani d PD 0.21(2) B 2
    F F8B 0.8152(11) 0.5281(14) 0.815(2) 0.048(6) Uani d PD 0.21(2) B 2
    F F9B 0.8135(14) 0.3650(15) 0.745(4) 0.126(16) Uani d PD 0.21(2) B 2
    C C17C 0.85503(12) 0.4394(2) 0.7947(3) 0.0457(6) Uani d PD 0.20(2) B 3
    F F7C 0.8820(12) 0.418(3) 0.675(2) 0.17(2) Uani d PD 0.20(2) B 3
    F F8C 0.8356(13) 0.5439(8) 0.786(2) 0.072(10) Uani d PD 0.20(2) B 3
    F F9C 0.7966(10) 0.3854(17) 0.791(3) 0.068(9) Uani d PD 0.20(2) B 3
    C C17D 0.85503(12) 0.4394(2) 0.7947(3) 0.0457(6) Uani d PD 0.31(3) B 4
    F F7D 0.8875(11) 0.5096(15) 0.719(2) 0.054(5) Uani d PD 0.31(3) B 4
    F F8D 0.7956(10) 0.482(3) 0.818(3) 0.151(15) Uani d PD 0.31(3) B 4
    F F9D 0.8442(12) 0.3538(9) 0.715(2) 0.079(8) Uani d PD 0.31(3) B 4
    C C18 0.88883(12) 0.44873(18) 1.3200(2) 0.0400(5) Uani d PD 0.56(4) B 1
    F F10 0.8303(5) 0.4983(11) 1.3181(15) 0.069(3) Uani d PD 0.56(4) B 1
    F F11 0.8866(12) 0.3633(7) 1.4039(18) 0.100(4) Uani d PD 0.56(4) B 1
    F F12 0.9348(5) 0.5149(9) 1.3892(15) 0.049(2) Uani d PD 0.56(4) B 1
    C C18' 0.88883(12) 0.44873(18) 1.3200(2) 0.0400(5) Uani d PD 0.44(4) B 2
    F F10' 0.8317(5) 0.5081(9) 1.3084(13) 0.038(3) Uani d PD 0.44(4) B 2
    F F11' 0.8710(6) 0.3581(7) 1.3822(13) 0.054(3) Uani d PD 0.44(4) B 2
    F F12' 0.9330(7) 0.4987(13) 1.407(2) 0.072(5) Uani d PD 0.44(4) B 2
    N N2 1.06538(8) 0.29710(14) 1.05005(17) 0.0285(4) Uani d . 1.0 B .
    H H2A 1.0828 0.2776 1.134 0.034 Uiso calc R 1.0 . .
    C C19 1.10391(10) 0.27641(15) 0.9425(2) 0.0257(4) Uani d . 1.0 . .
    O O2 1.08667(7) 0.29637(13) 0.81969(14) 0.0338(3) Uani d . 1.0 B .
    C C20 1.17163(11) 0.2230(2) 0.9881(2) 0.0356(5) Uani d . 1.0 B .
    H H20A 1.1663 0.1438 0.9839 0.043 Uiso calc R 1.0 . .
    H H20B 1.1856 0.2431 1.0866 0.043 Uiso calc R 1.0 . .
    Cl Cl2 1.23510(3) 0.26300(7) 0.87866(7) 0.0600(2) Uani d . 1.0 . .


_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_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    C1 C2 . 1.379(3) ?
    C1 C6 . 1.394(3) ?
    C1 H1A . 0.95 ?
    C2 C3 . 1.391(3) ?
    C2 C7 . 1.498(3) ?
    C3 C4 . 1.385(3) ?
    C3 H3A . 0.95 ?
    C4 C5 . 1.388(3) ?
    C4 C8 . 1.508(3) ?
    C5 C6 . 1.396(3) ?
    C5 H5A . 0.95 ?
    C6 N1 . 1.413(2) ?
    C7 F2 . 1.328(10) ?
    C7 F3 . 1.330(9) ?
    C7 F1 . 1.350(9) ?
    C8 F6 . 1.319(9) ?
    C8 F4 . 1.328(8) ?
    C8 F5 . 1.341(9) ?
    N1 C9 . 1.348(2) ?
    N1 H1B . 0.88 ?
    C9 O1 . 1.217(2) ?
    C9 C10 . 1.526(3) ?
    C10 Cl1 . 1.762(2) ?
    C10 H10A . 0.99 ?
    C10 H10B . 0.99 ?
    C11 C16 . 1.389(3) ?
    C11 C12 . 1.393(3) ?
    C11 H11A . 0.95 ?
    C12 C13 . 1.386(3) ?
    C12 C17A . 1.502(3) ?
    C13 C14 . 1.379(3) ?
    C13 H13A . 0.95 ?
    C14 C15 . 1.384(3) ?
    C14 C18 . 1.505(3) ?
    C15 C16 . 1.392(3) ?
    C15 H15A . 0.95 ?
    C16 N2 . 1.415(3) ?
    C17A F7A . 1.324(10) ?
    C17A F9A . 1.316(10) ?
    C17A F8A . 1.365(8) ?
    C18 F10 . 1.304(8) ?
    C18 F11 . 1.332(8) ?
    C18 F12 . 1.356(8) ?
    N2 C19 . 1.345(2) ?
    N2 H2A . 0.88 ?
    C19 O2 . 1.220(2) ?
    C19 C20 . 1.521(3) ?
    C20 Cl2 . 1.757(2) ?
    C20 H20A . 0.99 ?
    C20 H20B . 0.99 ?

loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C2 C1 C6 . . 120.32(17) ?
    C2 C1 H1A . . 119.8 ?
    C6 C1 H1A . . 119.8 ?
    C1 C2 C3 . . 121.07(18) ?
    C1 C2 C7 . . 118.73(18) ?
    C3 C2 C7 . . 120.19(19) ?
    C4 C3 C2 . . 118.02(18) ?
    C4 C3 H3A . . 121.0 ?
    C2 C3 H3A . . 121.0 ?
    C3 C4 C5 . . 122.18(18) ?
    C3 C4 C8 . . 120.21(18) ?
    C5 C4 C8 . . 117.60(18) ?
    C4 C5 C6 . . 118.88(18) ?
    C4 C5 H5A . . 120.6 ?
    C6 C5 H5A . . 120.6 ?
    C1 C6 C5 . . 119.52(18) ?
    C1 C6 N1 . . 116.88(16) ?
    C5 C6 N1 . . 123.60(17) ?
    F2 C7 F3 . . 106.9(9) ?
    F2 C7 F1 . . 105.3(8) ?
    F3 C7 F1 . . 104.8(9) ?
    F2 C7 C2 . . 114.7(9) ?
    F3 C7 C2 . . 113.6(7) ?
    F1 C7 C2 . . 110.8(9) ?
    F6 C8 F4 . . 107.7(8) ?
    F6 C8 F5 . . 106.5(8) ?
    F4 C8 F5 . . 106.7(8) ?
    F6 C8 C4 . . 112.6(6) ?
    F4 C8 C4 . . 112.2(7) ?
    F5 C8 C4 . . 110.8(11) ?
    C9 N1 C6 . . 127.97(16) ?
    C9 N1 H1B . . 116.0 ?
    C6 N1 H1B . . 116.0 ?
    O1 C9 N1 . . 124.79(18) ?
    O1 C9 C10 . . 122.24(17) ?
    N1 C9 C10 . . 112.93(16) ?
    C9 C10 Cl1 . . 110.44(13) ?
    C9 C10 H10A . . 109.6 ?
    Cl1 C10 H10A . . 109.6 ?
    C9 C10 H10B . . 109.6 ?
    Cl1 C10 H10B . . 109.6 ?
    H10A C10 H10B . . 108.1 ?
    C16 C11 C12 . . 118.97(18) ?
    C16 C11 H11A . . 120.5 ?
    C12 C11 H11A . . 120.5 ?
    C13 C12 C11 . . 122.2(2) ?
    C13 C12 C17A . . 119.4(2) ?
    C11 C12 C17A . . 118.36(19) ?
    C14 C13 C12 . . 117.67(19) ?
    C14 C13 H13A . . 121.2 ?
    C12 C13 H13A . . 121.2 ?
    C13 C14 C15 . . 121.52(19) ?
    C13 C14 C18 . . 120.96(19) ?
    C15 C14 C18 . . 117.5(2) ?
    C14 C15 C16 . . 120.2(2) ?
    C14 C15 H15A . . 119.9 ?
    C16 C15 H15A . . 119.9 ?
    C11 C16 C15 . . 119.41(19) ?
    C11 C16 N2 . . 124.05(17) ?
    C15 C16 N2 . . 116.54(18) ?
    F7A C17A F9A . . 108.3(9) ?
    F7A C17A F8A . . 104.0(7) ?
    F9A C17A F8A . . 104.9(9) ?
    F7A C17A C12 . . 113.6(9) ?
    F9A C17A C12 . . 115.4(9) ?
    F8A C17A C12 . . 109.8(7) ?
    F10 C18 F11 . . 108.4(7) ?
    F10 C18 F12 . . 106.0(6) ?
    F11 C18 F12 . . 104.0(8) ?
    F10 C18 C14 . . 115.1(7) ?
    F11 C18 C14 . . 113.4(5) ?
    F12 C18 C14 . . 109.1(6) ?
    C19 N2 C16 . . 128.01(17) ?
    C19 N2 H2A . . 116.0 ?
    C16 N2 H2A . . 116.0 ?
    O2 C19 N2 . . 124.18(19) ?
    O2 C19 C20 . . 122.46(17) ?
    N2 C19 C20 . . 113.35(17) ?
    C19 C20 Cl2 . . 110.60(15) ?
    C19 C20 H20A . . 109.5 ?
    Cl2 C20 H20A . . 109.5 ?
    C19 C20 H20B . . 109.5 ?
    Cl2 C20 H20B . . 109.5 ?
    H20A C20 H20B . . 108.1 ?

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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C6 C1 C2 C3 . . . . -0.1(3) ?
    C6 C1 C2 C7 . . . . -179.01(19) ?
    C1 C2 C3 C4 . . . . -0.2(3) ?
    C7 C2 C3 C4 . . . . 178.65(19) ?
    C2 C3 C4 C5 . . . . -0.1(3) ?
    C2 C3 C4 C8 . . . . 178.97(18) ?
    C3 C4 C5 C6 . . . . 0.8(3) ?
    C8 C4 C5 C6 . . . . -178.32(17) ?
    C2 C1 C6 C5 . . . . 0.8(3) ?
    C2 C1 C6 N1 . . . . -178.66(17) ?
    C4 C5 C6 C1 . . . . -1.1(3) ?
    C4 C5 C6 N1 . . . . 178.30(18) ?
    C1 C2 C7 F2 . . . . -51.3(13) ?
    C3 C2 C7 F2 . . . . 129.8(13) ?
    C1 C2 C7 F3 . . . . -174.6(15) ?
    C3 C2 C7 F3 . . . . 6.5(15) ?
    C1 C2 C7 F1 . . . . 67.8(11) ?
    C3 C2 C7 F1 . . . . -111.1(11) ?
    C3 C4 C8 F6 . . . . 125.1(14) ?
    C5 C4 C8 F6 . . . . -55.8(14) ?
    C3 C4 C8 F4 . . . . 3.4(16) ?
    C5 C4 C8 F4 . . . . -177.5(15) ?
    C3 C4 C8 F5 . . . . -115.8(14) ?
    C5 C4 C8 F5 . . . . 63.3(14) ?
    C1 C6 N1 C9 . . . . -171.87(19) ?
    C5 C6 N1 C9 . . . . 8.7(3) ?
    C6 N1 C9 O1 . . . . -0.2(3) ?
    C6 N1 C9 C10 . . . . 177.37(18) ?
    O1 C9 C10 Cl1 . . . . -28.8(3) ?
    N1 C9 C10 Cl1 . . . . 153.59(15) ?
    C16 C11 C12 C13 . . . . 0.5(3) ?
    C16 C11 C12 C17A . . . . -179.2(2) ?
    C11 C12 C13 C14 . . . . -0.1(3) ?
    C17A C12 C13 C14 . . . . 179.6(2) ?
    C12 C13 C14 C15 . . . . -0.3(3) ?
    C12 C13 C14 C18 . . . . -179.1(2) ?
    C13 C14 C15 C16 . . . . 0.4(3) ?
    C18 C14 C15 C16 . . . . 179.16(19) ?
    C12 C11 C16 C15 . . . . -0.4(3) ?
    C12 C11 C16 N2 . . . . 179.92(18) ?
    C14 C15 C16 C11 . . . . 0.0(3) ?
    C14 C15 C16 N2 . . . . 179.68(18) ?
    C13 C12 C17A F7A . . . . -30.7(10) ?
    C11 C12 C17A F7A . . . . 149.0(10) ?
    C13 C12 C17A F9A . . . . 95.2(14) ?
    C11 C12 C17A F9A . . . . -85.1(14) ?
    C13 C12 C17A F8A . . . . -146.7(8) ?
    C11 C12 C17A F8A . . . . 33.0(8) ?
    C13 C14 C18 F10 . . . . -3.6(8) ?
    C15 C14 C18 F10 . . . . 177.6(7) ?
    C13 C14 C18 F11 . . . . 122.0(12) ?
    C15 C14 C18 F11 . . . . -56.8(12) ?
    C13 C14 C18 F12 . . . . -122.6(6) ?
    C15 C14 C18 F12 . . . . 58.6(6) ?
    C11 C16 N2 C19 . . . . 9.3(3) ?
    C15 C16 N2 C19 . . . . -170.31(19) ?
    C16 N2 C19 O2 . . . . -1.5(3) ?
    C16 N2 C19 C20 . . . . 179.59(19) ?
    O2 C19 C20 Cl2 . . . . 33.5(3) ?
    N2 C19 C20 Cl2 . . . . -147.54(16) ?

