# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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. 
# 
#######################################################################

data_ZH_ZNZ_3538
_database_code_depnum_ccdc_archive 'CCDC 1869279'
_audit_update_record             
;
2018-09-24 deposited with the CCDC.
2018-11-19 downloaded from the CCDC.
;
_chemical_name_common            ?
_chemical_formula_moiety         C14H17BF3KO2
_chemical_formula_sum            'C56 H68 B4 F12 K4 O8'
_chemical_formula_iupac          ?
_chemical_formula_weight         324.19

_chemical_melting_point          ?

_space_group_crystal_system      triclinic
_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                   8.490(3)
_cell_length_b                   14.116(6)
_cell_length_c                   27.185(11)
_cell_angle_alpha                98.118(10)
_cell_angle_beta                 91.155(10)
_cell_angle_gamma                106.640(10)
_cell_volume                     3084.(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6767
_cell_measurement_theta_min      2.5347
_cell_measurement_theta_max      25.1540
_cell_measurement_temperature    296.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_crystal_density_diffrn    1.396
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1344

_exptl_absorpt_coefficient_mu    0.376
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
'TWINABS - Bruker AXS scaling for twinned crystals - Version 2012/1'
_exptl_absorpt_correction_T_min  0.66
_exptl_absorpt_correction_T_max  0.93

_exptl_special_details           
;
;

_diffrn_ambient_temperature      196.(2)

_diffrn_source                   ?
_diffrn_source_type              ?

_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  ?

_diffrn_measurement_device_type  'Bruker D8  VENTURE PHOTON 100'
_diffrn_measurement_method       ?

_diffrn_detector_area_resol_mean 10.4167

_diffrn_reflns_number            11136
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0889
_diffrn_reflns_theta_min         2.27
_diffrn_reflns_theta_max         25.47
_diffrn_reflns_theta_full        25.47
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measured_fraction_theta_full 0.972
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       32

_refine_special_details          
;

Refined as a 2-component twin.
;

_reflns_number_total             11136
_reflns_number_gt                6476
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.1196
_refine_ls_R_factor_gt           0.0578
_refine_ls_wR_factor_gt          0.1343
_refine_ls_wR_factor_ref         0.1632
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.030
_refine_ls_number_reflns         11136
_refine_ls_number_parameters     766
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0796P)²] 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          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.552
_refine_diff_density_min         -0.483
_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 0.0033 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'
B B 0.0013 0.0007 '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'
K K 0.2009 0.2494 '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'

_computing_data_collection       ?
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 924)'
_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_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C2_1 0.5680(6) 0.7806(4) 1.00573(17) 0.0489(13) Uani d . . . 1 . .
H H2_1 0.462619 0.735906 1.003214 0.059 Uiso calc U . R 1 . .
F F2_1 0.5849(3) 0.65095(19) 0.79810(9) 0.0485(7) Uani d . . . 1 . .
O O2_1 0.4951(4) 0.5588(2) 0.94205(10) 0.0397(8) Uani d . . . 1 . .
C C3_1 0.6875(5) 0.7544(3) 0.97012(15) 0.0373(11) Uani d . . . 1 . .
H H3A_1 0.727888 0.703404 0.981974 0.045 Uiso calc U . R 1 . .
H H3AB_1 0.780955 0.813175 0.970259 0.045 Uiso calc U . R 1 . .
F F3_1 0.7905(3) 0.57778(18) 0.80366(8) 0.0418(6) Uani d . . . 1 . .
C C4_1 0.6146(5) 0.7158(3) 0.91582(15) 0.0323(10) Uani d . . . 1 . .
C C5_1 0.4631(6) 0.6281(3) 0.91659(16) 0.0364(11) Uani d . . . 1 . .
C C6_1 0.3661(6) 0.4651(3) 0.93888(19) 0.0527(14) Uani d . . . 1 . .
H H6A_1 0.39029 0.427548 0.963351 0.079 Uiso calc U . R 1 . .
H H6B_1 0.359611 0.42724 0.906262 0.079 Uiso calc U . R 1 . .
H H6C_1 0.262694 0.478155 0.944908 0.079 Uiso calc U . R 1 . .
C C7_1 0.7408(5) 0.6754(3) 0.88339(14) 0.0295(10) Uani d . . . 1 . .
H H7_1 0.775496 0.630699 0.902853 0.035 Uiso calc U . R 1 . .
C C8_1 0.8950(5) 0.7583(3) 0.87902(15) 0.0323(10) Uani d . . . 1 . .
C C9_1 1.0318(5) 0.7796(3) 0.91252(16) 0.0389(11) Uani d . . . 1 . .
H H9_1 1.026963 0.741331 0.937942 0.047 Uiso calc U . R 1 . .
C C10_1 1.1730(6) 0.8550(4) 0.90921(19) 0.0502(13) Uani d . . . 1 . .
H H10_1 1.260417 0.868379 0.932814 0.06 Uiso calc U . R 1 . .
C C11_1 1.1859(6) 0.9107(4) 0.87121(19) 0.0501(14) Uani d . . . 1 . .
H H11_1 1.282046 0.961443 0.868711 0.06 Uiso calc U . R 1 . .
C C12_1 1.0534(6) 0.8906(3) 0.83648(17) 0.0467(13) Uani d . . . 1 . .
H H12_1 1.061511 0.927251 0.810292 0.056 Uiso calc U . R 1 . .
C C13_1 0.9102(5) 0.8165(3) 0.84078(16) 0.0378(11) Uani d . . . 1 . .
H H13_1 0.821743 0.80479 0.817742 0.045 Uiso calc U . R 1 . .
C C14_1 0.5646(6) 0.7980(3) 0.89366(18) 0.0457(13) Uani d . . . 1 . .
H H14A_1 0.515074 0.772023 0.86062 0.069 Uiso calc U . R 1 . .
H H14B_1 0.660531 0.853548 0.892389 0.069 Uiso calc U . R 1 . .
H H14C_1 0.487036 0.819935 0.914119 0.069 Uiso calc U . R 1 . .
C C1_1 0.5963(6) 0.8584(4) 1.03939(17) 0.0502(14) Uani d . . . 1 . .
H H1A_1 0.699677 0.905415 1.043438 0.06 Uiso calc U . R 1 . .
H H1B_1 0.513233 0.86767 1.059638 0.06 Uiso calc U . R 1 . .
F F1_1 0.5484(3) 0.51551(18) 0.83803(9) 0.0495(7) Uani d . . . 1 . .
O O1_1 0.3275(4) 0.6186(2) 0.89782(11) 0.0470(8) Uani d . . . 1 . .
B B1_1 0.6627(6) 0.6068(4) 0.83066(19) 0.0382(13) Uani d . . . 1 . .
C C1_2 0.2491(8) 0.9226(4) 0.5361(2) 0.0748(18) Uani d . . . 1 . .
H H1A_2 0.349524 0.963686 0.551113 0.09 Uiso calc U . R 1 . .
H H1B_2 0.192515 0.945176 0.512855 0.09 Uiso calc U . R 1 . .
O O1_2 0.0134(3) 0.6138(2) 0.57386(10) 0.0384(8) Uani d . . . 1 . .
F F1_2 0.2265(3) 0.59012(17) 0.72691(9) 0.0395(6) Uani d . . . 1 . .
B B1_2 0.1329(6) 0.6355(4) 0.69922(18) 0.0317(12) Uani d . . . 1 . .
C C2_2 0.1879(6) 0.8340(4) 0.54777(17) 0.0474(13) Uani d . . . 1 . .
H H2_2 0.087205 0.795216 0.532001 0.057 Uiso calc U . R 1 . .
O O2_2 -0.1370(3) 0.6899(2) 0.62312(11) 0.0397(8) Uani d . . . 1 . .
F F2_2 0.0517(3) 0.68743(17) 0.73420(8) 0.0373(6) Uani d . . . 1 . .
C C3_2 0.2665(5) 0.7893(3) 0.58450(15) 0.0362(11) Uani d . . . 1 . .
H H3A_2 0.370644 0.837023 0.597542 0.043 Uiso calc U . R 1 . .
H H3AB_2 0.290069 0.730347 0.567255 0.043 Uiso calc U . R 1 . .
F F3_2 0.0043(3) 0.55483(17) 0.67209(8) 0.0383(6) Uani d . . . 1 . .
C C4_2 0.1604(5) 0.7591(3) 0.62890(15) 0.0295(10) Uani d . . . 1 . .
C C5_2 0.1307(5) 0.8534(3) 0.65777(16) 0.0338(10) Uani d . . . 1 . .
H H5A_2 0.074451 0.83701 0.68711 0.051 Uiso calc U . R 1 . .
H H5B_2 0.064522 0.878895 0.637078 0.051 Uiso calc U . R 1 . .
H H5C_2 0.234427 0.903238 0.667182 0.051 Uiso calc U . R 1 . .
C C6_2 0.2458(5) 0.7033(3) 0.66307(14) 0.0294(10) Uani d . . . 1 . .
H H6_2 0.28317 0.656029 0.639658 0.035 Uiso calc U . R 1 . .
C C7_2 0.4039(5) 0.7742(3) 0.69070(14) 0.0281(9) Uani d . . . 1 . .
C C8_2 0.4034(5) 0.8293(3) 0.73760(14) 0.0318(10) Uani d . . . 1 . .
H H8_2 0.304219 0.824093 0.752499 0.038 Uiso calc U . R 1 . .
C C9_2 0.5492(5) 0.8920(3) 0.76236(16) 0.0361(11) Uani d . . . 1 . .
H H9_2 0.545896 0.928121 0.793516 0.043 Uiso calc U . R 1 . .
C C10_2 0.6969(5) 0.9014(3) 0.74156(16) 0.0373(11) Uani d . . . 1 . .
H H10_2 0.793602 0.944083 0.758105 0.045 Uiso calc U . R 1 . .
C C11_2 0.7004(5) 0.8463(3) 0.69553(17) 0.0374(11) Uani d . . . 1 . .
H H11_2 0.780999 0.880998 0.673862 0.045 Uiso calc U . R 1 . .
C C12_2 0.5563(5) 0.7836(3) 0.67091(16) 0.0323(10) Uani d . . . 1 . .
H H12_2 0.553585 0.781596 0.634721 0.039 Uiso calc U . R 1 . .
C C13_2 -0.0044(5) 0.6869(3) 0.60914(15) 0.0323(10) Uani d . . . 1 . .
C C14_2 -0.1344(6) 0.5329(4) 0.55803(19) 0.0594(15) Uani d . . . 1 . .
H H14A_2 -0.106064 0.47858 0.538528 0.089 Uiso calc U . R 1 . .
H H14B_2 -0.20683 0.555848 0.538303 0.089 Uiso calc U . R 1 . .
H H14C_2 -0.188482 0.510325 0.586721 0.089 Uiso calc U . R 1 . .
C C1_3 0.2864(6) 0.1383(4) 0.45318(17) 0.0540(14) Uani d . . . 1 . .
H H1A_3 0.331723 0.086748 0.456561 0.065 Uiso calc U . R 1 . .
H H1B_3 0.206788 0.130263 0.427677 0.065 Uiso calc U . R 1 . .
F F1_3 0.6600(3) 0.41584(17) 0.70204(8) 0.0402(6) Uani d . . . 1 . .
O O1_3 0.4252(4) 0.4357(2) 0.55392(10) 0.0372(7) Uani d . . . 1 . .
B B1_3 0.5151(6) 0.3815(4) 0.67002(18) 0.0347(12) Uani d . . . 1 . .
C C2_3 0.3346(5) 0.2223(3) 0.48430(15) 0.0394(11) Uani d . . . 1 . .
H H2_3 0.285781 0.271698 0.479453 0.047 Uiso calc U . R 1 . .
F F2_3 0.3880(3) 0.32883(18) 0.69830(8) 0.0432(7) Uani d . . . 1 . .
O O2_3 0.1924(4) 0.3668(2) 0.58912(11) 0.0447(8) Uani d . . . 1 . .
C C3_3 0.4605(5) 0.2462(3) 0.52686(14) 0.0326(10) Uani d . . . 1 . .
H H3A_3 0.553957 0.300501 0.520554 0.039 Uiso calc U . R 1 . .
H H3AB_3 0.499071 0.188218 0.528426 0.039 Uiso calc U . R 1 . .
F F3_3 0.4708(3) 0.46887(17) 0.66145(8) 0.0436(6) Uani d . . . 1 . .
C C4_3 0.3970(5) 0.2763(3) 0.57800(15) 0.0302(10) Uani d . . . 1 . .
C C5_3 0.2658(5) 0.1863(3) 0.59071(16) 0.0399(11) Uani d . . . 1 . .
H H5A_3 0.224685 0.20393 0.622278 0.06 Uiso calc U . R 1 . .
H H5B_3 0.312615 0.132451 0.592449 0.06 Uiso calc U . R 1 . .
H H5C_3 0.177055 0.165717 0.565426 0.06 Uiso calc U . R 1 . .
C C6_3 0.3241(5) 0.3623(3) 0.57461(15) 0.0349(11) Uani d . . . 1 . .
C C7_3 0.3857(6) 0.5300(3) 0.55851(17) 0.0474(13) Uani d . . . 1 . .
H H7A_3 0.437502 0.567287 0.533313 0.071 Uiso calc U . R 1 . .
H H7B_3 0.424951 0.567865 0.590803 0.071 Uiso calc U . R 1 . .
H H7C_3 0.268477 0.517032 0.55444 0.071 Uiso calc U . R 1 . .
C C8_3 0.5454(5) 0.3169(3) 0.61869(14) 0.0301(10) Uani d . . . 1 . .
H H8_3 0.630686 0.36416 0.603218 0.036 Uiso calc U . R 1 . .
C C9_3 0.6233(5) 0.2356(3) 0.62867(14) 0.0302(10) Uani d . . . 1 . .
C C10_3 0.7616(5) 0.2252(4) 0.60481(17) 0.0418(12) Uani d . . . 1 . .
H H10_3 0.808076 0.269315 0.583075 0.05 Uiso calc U . R 1 . .
C C11_3 0.8327(6) 0.1510(4) 0.6124(2) 0.0562(14) Uani d . . . 1 . .
H H11_3 0.924819 0.145671 0.595615 0.067 Uiso calc U . R 1 . .
C C12_3 0.7681(6) 0.0854(4) 0.64450(18) 0.0461(12) Uani d . . . 1 . .
H H12_3 0.815507 0.035342 0.649218 0.055 Uiso calc U . R 1 . .
C C13_3 0.6331(6) 0.0939(3) 0.66968(17) 0.0448(12) Uani d . . . 1 . .
H H13_3 0.589723 0.050577 0.692048 0.054 Uiso calc U . R 1 . .
C C14_3 0.5617(6) 0.1683(3) 0.66134(16) 0.0411(11) Uani d . . . 1 . .
H H14_3 0.469425 0.173074 0.67825 0.049 Uiso calc U . R 1 . .
C C1_4 -0.1347(7) 0.0426(4) 0.95581(17) 0.0543(14) Uani d . . . 1 . .
H H1A_4 -0.072407 0.005405 0.939026 0.065 Uiso calc U . R 1 . .
H H1B_4 -0.209429 0.014566 0.978087 0.065 Uiso calc U . R 1 . .
K K1_4 0.60051(12) 0.35549(7) 0.78890(4) 0.0381(3) Uani d . . . 1 . .
B B1_4 0.0005(6) 0.3533(4) 0.80417(19) 0.0365(13) Uani d . . . 1 . .
F F1_4 -0.0623(3) 0.42651(17) 0.83259(9) 0.0416(6) Uani d . . . 1 . .
O O1_4 -0.1000(4) 0.3612(2) 0.92768(10) 0.0385(7) Uani d . . . 1 . .
C C2_4 -0.1172(6) 0.1349(4) 0.94805(16) 0.0408(11) Uani d . . . 1 . .
H H2_4 -0.181812 0.169475 0.965576 0.049 Uiso calc U . R 1 . .
K K2_4 0.10538(13) 0.38943(8) 0.68540(4) 0.0434(3) Uani d . . . 1 . .
F F2_4 -0.1206(3) 0.30651(19) 0.76441(9) 0.0446(6) Uani d . . . 1 . .
O O2_4 -0.3226(4) 0.2858(2) 0.87549(10) 0.0361(7) Uani d . . . 1 . .
C C3_4 -0.0030(5) 0.1882(3) 0.91369(15) 0.0344(10) Uani d . . . 1 . .
H H3A_4 0.0613 0.145338 0.899753 0.041 Uiso calc U . R 1 . .
H H3AB_4 0.072905 0.24754 0.932811 0.041 Uiso calc U . R 1 . .
K K3_4 0.12948(13) 0.60894(8) 0.81930(4) 0.0430(3) Uani d . . . 1 . .
F F3_4 0.1403(3) 0.40863(18) 0.78288(9) 0.0475(7) Uani d . . . 1 . .
C C4_4 -0.0870(5) 0.2204(3) 0.87001(14) 0.0267(9) Uani d . . . 1 . .
K K4_4 -0.27662(12) 0.62040(7) 0.71005(3) 0.0353(3) Uani d . . . 1 . .
C C5_4 -0.2065(5) 0.1272(3) 0.83940(15) 0.0329(10) Uani d . . . 1 . .
H H5A_4 -0.244785 0.144512 0.809409 0.049 Uiso calc U . R 1 . .
H H5B_4 -0.298571 0.101415 0.858542 0.049 Uiso calc U . R 1 . .
H H5C_4 -0.15089 0.077206 0.831068 0.049 Uiso calc U . R 1 . .
C C6_4 -0.1847(5) 0.2907(3) 0.89073(15) 0.0312(10) Uani d . . . 1 . .
C C7_4 -0.1789(6) 0.4373(3) 0.94328(18) 0.0547(14) Uani d . . . 1 . .
H H7A_4 -0.104892 0.490473 0.965968 0.082 Uiso calc U . R 1 . .
H H7B_4 -0.276825 0.408888 0.959549 0.082 Uiso calc U . R 1 . .
H H7C_4 -0.207594 0.46338 0.914712 0.082 Uiso calc U . R 1 . .
C C8_4 0.0486(5) 0.2797(3) 0.83831(14) 0.0284(10) Uani d . . . 1 . .
H H8_4 0.133389 0.323996 0.862904 0.034 Uiso calc U . R 1 . .
C C9_4 0.1344(5) 0.2094(3) 0.80951(15) 0.0291(10) Uani d . . . 1 . .
C C10_4 0.2796(5) 0.1979(3) 0.82963(16) 0.0364(11) Uani d . . . 1 . .
H H10_4 0.283748 0.199986 0.865831 0.044 Uiso calc U . R 1 . .
C C11_4 0.3573(5) 0.1321(3) 0.80415(17) 0.0387(11) Uani d . . . 1 . .
H H11_4 0.406237 0.096074 0.825416 0.046 Uiso calc U . R 1 . .
C C12_4 0.2923(5) 0.0784(3) 0.75810(17) 0.0411(12) Uani d . . . 1 . .
H H12_4 0.342739 0.034112 0.74128 0.049 Uiso calc U . R 1 . .
C C13_4 0.1507(5) 0.0915(3) 0.73725(16) 0.0378(11) Uani d . . . 1 . .
H H13_4 0.107547 0.056443 0.706017 0.045 Uiso calc U . R 1 . .
C C14_4 0.0731(5) 0.1559(3) 0.76237(15) 0.0320(10) Uani d . . . 1 . .
H H14_4 -0.021335 0.163724 0.747692 0.038 Uiso calc U . R 1 . .


_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
C2_1 C1_1 . 1.288(6) ?
C2_1 C3_1 . 1.502(6) ?
C2_1 H2_1 . 0.93 ?
F2_1 B1_1 . 1.407(6) ?
F2_1 K4_4 1_655 2.722(3) ?
O2_1 C5_1 . 1.358(5) ?
O2_1 C6_1 . 1.447(5) ?
C3_1 C4_1 . 1.550(6) ?
C3_1 H3A_1 . 0.97 ?
C3_1 H3AB_1 . 0.97 ?
F3_1 B1_1 . 1.444(5) ?
F3_1 K4_4 1_655 2.781(3) ?
F3_1 K3_4 1_655 2.798(3) ?
F3_1 K1_4 . 3.054(3) ?
C4_1 C5_1 . 1.511(6) ?
C4_1 C14_1 . 1.537(6) ?
C4_1 C7_1 . 1.579(5) ?
C5_1 O1_1 . 1.213(5) ?
C6_1 H6A_1 . 0.96 ?
C6_1 H6B_1 . 0.96 ?
C6_1 H6C_1 . 0.96 ?
C7_1 C8_1 . 1.505(6) ?
C7_1 B1_1 . 1.623(6) ?
C7_1 H7_1 . 0.98 ?
C8_1 C9_1 . 1.396(6) ?
C8_1 C13_1 . 1.399(6) ?
C9_1 C10_1 . 1.370(6) ?
C9_1 K3_4 1_655 3.524(4) ?
C9_1 H9_1 . 0.93 ?
C10_1 C11_1 . 1.373(7) ?
C10_1 H10_1 . 0.93 ?
C11_1 C12_1 . 1.391(7) ?
C11_1 H11_1 . 0.93 ?
C12_1 C13_1 . 1.378(6) ?
C12_1 H12_1 . 0.93 ?
C13_1 H13_1 . 0.93 ?
C14_1 H14A_1 . 0.96 ?
C14_1 H14B_1 . 0.96 ?
C14_1 H14C_1 . 0.96 ?
C1_1 H1A_1 . 0.93 ?
C1_1 H1B_1 . 0.93 ?
F1_1 B1_1 . 1.417(6) ?
F1_1 K1_4 . 2.612(3) ?
O1_1 K3_4 . 2.654(3) ?
B1_1 K4_4 1_655 3.353(5) ?
B1_1 K1_4 . 3.452(5) ?
C1_2 C2_2 . 1.297(7) ?
C1_2 H1A_2 . 0.93 ?
C1_2 H1B_2 . 0.93 ?
O1_2 C13_2 . 1.350(5) ?
O1_2 C14_2 . 1.443(5) ?
F1_2 B1_2 . 1.419(5) ?
F1_2 K3_4 . 2.660(3) ?
F1_2 K2_4 . 2.782(3) ?
B1_2 F2_2 . 1.427(5) ?
B1_2 F3_2 . 1.432(5) ?
B1_2 C6_2 . 1.606(6) ?
B1_2 K3_4 . 3.338(5) ?
B1_2 K2_4 . 3.380(5) ?
B1_2 K4_4 . 3.443(5) ?
C2_2 C3_2 . 1.494(6) ?
C2_2 H2_2 . 0.93 ?
O2_2 C13_2 . 1.206(5) ?
O2_2 K4_4 . 2.838(3) ?
F2_2 K4_4 . 2.708(3) ?
F2_2 K3_4 . 2.846(3) ?
C3_2 C4_2 . 1.555(5) ?
C3_2 H3A_2 . 0.97 ?
C3_2 H3AB_2 . 0.97 ?
F3_2 K2_4 . 2.773(3) ?
F3_2 K4_4 . 2.950(3) ?
C4_2 C13_2 . 1.511(6) ?
C4_2 C5_2 . 1.535(5) ?
C4_2 C6_2 . 1.586(6) ?
C5_2 H5A_2 . 0.96 ?
C5_2 H5B_2 . 0.96 ?
C5_2 H5C_2 . 0.96 ?
C6_2 C7_2 . 1.531(5) ?
C6_2 H6_2 . 0.98 ?
C7_2 C12_2 . 1.390(5) ?
C7_2 C8_2 . 1.398(5) ?
C8_2 C9_2 . 1.392(6) ?
C8_2 H8_2 . 0.93 ?
C9_2 C10_2 . 1.366(6) ?
C9_2 H9_2 . 0.93 ?
C10_2 C11_2 . 1.382(6) ?
C10_2 H10_2 . 0.93 ?
C11_2 C12_2 . 1.381(6) ?
C11_2 K4_4 1_655 3.327(5) ?
C11_2 H11_2 . 0.98 ?
C12_2 K4_4 1_655 3.309(4) ?
C12_2 H12_2 . 0.98 ?
C14_2 H14A_2 . 0.96 ?
C14_2 H14B_2 . 0.96 ?
C14_2 H14C_2 . 0.96 ?
C1_3 C2_3 . 1.309(6) ?
C1_3 H1A_3 . 0.93 ?
C1_3 H1B_3 . 0.93 ?
F1_3 B1_3 . 1.415(6) ?
F1_3 K1_4 . 2.632(3) ?
F1_3 K4_4 1_655 2.757(3) ?
O1_3 C6_3 . 1.342(5) ?
O1_3 C7_3 . 1.452(5) ?
B1_3 F2_3 . 1.429(6) ?
B1_3 F3_3 . 1.435(6) ?
B1_3 C8_3 . 1.623(6) ?
B1_3 K4_4 1_655 3.340(5) ?
B1_3 K1_4 . 3.391(5) ?
B1_3 K2_4 . 3.543(5) ?
C2_3 C3_3 . 1.493(6) ?
C2_3 H2_3 . 0.93 ?
F2_3 K2_4 . 2.800(3) ?
F2_3 K1_4 . 2.938(3) ?
O2_3 C6_3 . 1.209(5) ?
O2_3 K2_4 . 2.734(3) ?
C3_3 C4_3 . 1.549(5) ?
C3_3 H3A_3 . 0.97 ?
C3_3 H3AB_3 . 0.97 ?
F3_3 K4_4 1_655 2.717(3) ?
F3_3 K2_4 . 3.098(3) ?
C4_3 C5_3 . 1.517(5) ?
C4_3 C6_3 . 1.525(6) ?
C4_3 C8_3 . 1.578(5) ?
C5_3 H5A_3 . 0.96 ?
C5_3 H5B_3 . 0.96 ?
C5_3 H5C_3 . 0.96 ?
C7_3 H7A_3 . 0.96 ?
C7_3 H7B_3 . 0.96 ?
C7_3 H7C_3 . 0.96 ?
C8_3 C9_3 . 1.530(6) ?
C8_3 H8_3 . 0.98 ?
C9_3 C10_3 . 1.387(6) ?
C9_3 C14_3 . 1.392(6) ?
C10_3 C11_3 . 1.387(7) ?
C10_3 H10_3 . 0.93 ?
C11_3 C12_3 . 1.369(7) ?
C11_3 H11_3 . 0.93 ?
C12_3 C13_3 . 1.372(6) ?
C12_3 H12_3 . 0.93 ?
C13_3 C14_3 . 1.396(6) ?
C13_3 H13_3 . 0.93 ?
C14_3 H14_3 . 0.93 ?
C1_4 C2_4 . 1.316(6) ?
C1_4 H1A_4 . 0.93 ?
C1_4 H1B_4 . 0.93 ?
K1_4 F2_4 1_655 2.720(3) ?
K1_4 O2_4 1_655 2.810(3) ?
K1_4 F1_4 1_655 2.915(3) ?
K1_4 C10_4 . 3.308(4) ?
K1_4 C11_4 . 3.325(4) ?
K1_4 B1_4 1_655 3.422(6) ?
B1_4 F3_4 . 1.406(6) ?
B1_4 F2_4 . 1.424(6) ?
B1_4 F1_4 . 1.433(5) ?
B1_4 C8_4 . 1.615(7) ?
B1_4 K3_4 . 3.418(5) ?
B1_4 K2_4 . 3.435(5) ?
F1_4 K3_4 . 2.701(3) ?
O1_4 C6_4 . 1.340(5) ?
O1_4 C7_4 . 1.441(5) ?
C2_4 C3_4 . 1.482(6) ?
C2_4 H2_4 . 0.93 ?
K2_4 F3_4 . 2.627(3) ?
K2_4 F2_4 . 3.042(3) ?
K2_4 K3_4 . 4.3949(19) ?
O2_4 C6_4 . 1.213(5) ?
C3_4 C4_4 . 1.559(6) ?
C3_4 H3A_4 . 0.97 ?
C3_4 H3AB_4 . 0.97 ?
K3_4 F3_4 . 2.889(3) ?
K3_4 K4_4 . 4.558(2) ?
C4_4 C6_4 . 1.524(6) ?
C4_4 C5_4 . 1.532(5) ?
C4_4 C8_4 . 1.569(5) ?
C5_4 H5A_4 . 0.96 ?
C5_4 H5B_4 . 0.96 ?
C5_4 H5C_4 . 0.96 ?
C7_4 H7A_4 . 0.96 ?
C7_4 H7B_4 . 0.96 ?
C7_4 H7C_4 . 0.96 ?
C8_4 C9_4 . 1.531(5) ?
C8_4 H8_4 . 0.98 ?
C9_4 C14_4 . 1.400(5) ?
C9_4 C10_4 . 1.400(6) ?
C10_4 C11_4 . 1.401(6) ?
C10_4 H10_4 . 0.98 ?
C11_4 C12_4 . 1.382(6) ?
C11_4 H11_4 . 0.98 ?
C12_4 C13_4 . 1.388(6) ?
C12_4 H12_4 . 0.93 ?
C13_4 C14_4 . 1.383(5) ?
C13_4 H13_4 . 0.93 ?
C14_4 H14_4 . 0.93 ?

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
C1_1 C2_1 C3_1 . . 126.8(4) ?
C1_1 C2_1 H2_1 . . 116.6 ?
C3_1 C2_1 H2_1 . . 116.6 ?
B1_1 F2_1 K4_4 . 1_655 104.0(2) ?
C5_1 O2_1 C6_1 . . 116.2(4) ?
C2_1 C3_1 C4_1 . . 114.4(4) ?
C2_1 C3_1 H3A_1 . . 108.7 ?
C4_1 C3_1 H3A_1 . . 108.7 ?
C2_1 C3_1 H3AB_1 . . 108.7 ?
C4_1 C3_1 H3AB_1 . . 108.7 ?
H3A_1 C3_1 H3AB_1 . . 107.6 ?
B1_1 F3_1 K4_4 . 1_655 100.2(3) ?
B1_1 F3_1 K3_4 . 1_655 136.6(2) ?
K4_4 F3_1 K3_4 1_655 1_655 109.58(9) ?
B1_1 F3_1 K1_4 . . 93.3(2) ?
K4_4 F3_1 K1_4 1_655 . 99.23(8) ?
K3_4 F3_1 K1_4 1_655 . 111.65(9) ?
C5_1 C4_1 C14_1 . . 108.9(4) ?
C5_1 C4_1 C3_1 . . 108.0(3) ?
C14_1 C4_1 C3_1 . . 110.5(4) ?
C5_1 C4_1 C7_1 . . 107.0(3) ?
C14_1 C4_1 C7_1 . . 112.0(3) ?
C3_1 C4_1 C7_1 . . 110.3(3) ?
O1_1 C5_1 O2_1 . . 122.5(4) ?
O1_1 C5_1 C4_1 . . 125.9(5) ?
O2_1 C5_1 C4_1 . . 111.5(4) ?
O2_1 C6_1 H6A_1 . . 109.5 ?
O2_1 C6_1 H6B_1 . . 109.5 ?
H6A_1 C6_1 H6B_1 . . 109.5 ?
O2_1 C6_1 H6C_1 . . 109.5 ?
H6A_1 C6_1 H6C_1 . . 109.5 ?
H6B_1 C6_1 H6C_1 . . 109.5 ?
C8_1 C7_1 C4_1 . . 111.2(3) ?
C8_1 C7_1 B1_1 . . 113.9(3) ?
C4_1 C7_1 B1_1 . . 114.9(3) ?
C8_1 C7_1 H7_1 . . 105.3 ?
C4_1 C7_1 H7_1 . . 105.3 ?
B1_1 C7_1 H7_1 . . 105.3 ?
C9_1 C8_1 C13_1 . . 116.6(4) ?
C9_1 C8_1 C7_1 . . 121.4(4) ?
C13_1 C8_1 C7_1 . . 122.0(4) ?
C10_1 C9_1 C8_1 . . 122.2(5) ?
C10_1 C9_1 K3_4 . 1_655 94.2(3) ?
C8_1 C9_1 K3_4 . 1_655 79.7(2) ?
C10_1 C9_1 H9_1 . . 118.9 ?
C8_1 C9_1 H9_1 . . 118.9 ?
K3_4 C9_1 H9_1 1_655 . 96.2 ?
C9_1 C10_1 C11_1 . . 120.3(5) ?
C9_1 C10_1 H10_1 . . 119.9 ?
C11_1 C10_1 H10_1 . . 119.9 ?
C10_1 C11_1 C12_1 . . 119.2(5) ?
C10_1 C11_1 H11_1 . . 120.4 ?
C12_1 C11_1 H11_1 . . 120.4 ?
C13_1 C12_1 C11_1 . . 120.2(5) ?
C13_1 C12_1 H12_1 . . 119.9 ?
C11_1 C12_1 H12_1 . . 119.9 ?
C12_1 C13_1 C8_1 . . 121.5(4) ?
C12_1 C13_1 H13_1 . . 119.3 ?
C8_1 C13_1 H13_1 . . 119.3 ?
C4_1 C14_1 H14A_1 . . 109.5 ?
C4_1 C14_1 H14B_1 . . 109.5 ?
H14A_1 C14_1 H14B_1 . . 109.5 ?
C4_1 C14_1 H14C_1 . . 109.5 ?
H14A_1 C14_1 H14C_1 . . 109.5 ?
H14B_1 C14_1 H14C_1 . . 109.5 ?
C2_1 C1_1 H1A_1 . . 120.0 ?
C2_1 C1_1 H1B_1 . . 120.0 ?
H1A_1 C1_1 H1B_1 . . 120.0 ?
B1_1 F1_1 K1_4 . . 114.6(2) ?
C5_1 O1_1 K3_4 . . 151.0(3) ?
F2_1 B1_1 F1_1 . . 107.6(4) ?
F2_1 B1_1 F3_1 . . 106.3(4) ?
F1_1 B1_1 F3_1 . . 104.9(4) ?
F2_1 B1_1 C7_1 . . 116.3(4) ?
F1_1 B1_1 C7_1 . . 111.2(4) ?
F3_1 B1_1 C7_1 . . 109.8(4) ?
F2_1 B1_1 K4_4 . 1_655 52.0(2) ?
F1_1 B1_1 K4_4 . 1_655 112.6(3) ?
F3_1 B1_1 K4_4 . 1_655 54.7(2) ?
C7_1 B1_1 K4_4 . 1_655 136.0(3) ?
F2_1 B1_1 K1_4 . . 111.8(3) ?
F1_1 B1_1 K1_4 . . 43.47(18) ?
F3_1 B1_1 K1_4 . . 62.0(2) ?
C7_1 B1_1 K1_4 . . 131.2(3) ?
K4_4 B1_1 K1_4 1_655 . 81.62(11) ?
C2_2 C1_2 H1A_2 . . 120.0 ?
C2_2 C1_2 H1B_2 . . 120.0 ?
H1A_2 C1_2 H1B_2 . . 120.0 ?
C13_2 O1_2 C14_2 . . 115.5(3) ?
B1_2 F1_2 K3_4 . . 105.8(2) ?
B1_2 F1_2 K2_4 . . 102.3(2) ?
K3_4 F1_2 K2_4 . . 107.69(9) ?
F1_2 B1_2 F2_2 . . 107.0(4) ?
F1_2 B1_2 F3_2 . . 105.7(3) ?
F2_2 B1_2 F3_2 . . 105.3(3) ?
F1_2 B1_2 C6_2 . . 111.2(4) ?
F2_2 B1_2 C6_2 . . 114.9(4) ?
F3_2 B1_2 C6_2 . . 112.1(4) ?
F1_2 B1_2 K3_4 . . 50.08(19) ?
F2_2 B1_2 K3_4 . . 57.8(2) ?
F3_2 B1_2 K3_4 . . 108.5(3) ?
C6_2 B1_2 K3_4 . . 138.9(3) ?
F1_2 B1_2 K2_4 . . 53.54(19) ?
F2_2 B1_2 K2_4 . . 126.6(3) ?
F3_2 B1_2 K2_4 . . 53.30(19) ?
C6_2 B1_2 K2_4 . . 118.5(3) ?
K3_4 B1_2 K2_4 . . 81.71(11) ?
F1_2 B1_2 K4_4 . . 126.4(3) ?
F2_2 B1_2 K4_4 . . 48.16(18) ?
F3_2 B1_2 K4_4 . . 58.19(19) ?
C6_2 B1_2 K4_4 . . 122.4(3) ?
K3_4 B1_2 K4_4 . . 84.46(11) ?
K2_4 B1_2 K4_4 . . 99.51(13) ?
C1_2 C2_2 C3_2 . . 125.1(5) ?
C1_2 C2_2 H2_2 . . 117.4 ?
C3_2 C2_2 H2_2 . . 117.4 ?
C13_2 O2_2 K4_4 . . 125.6(3) ?
B1_2 F2_2 K4_4 . . 108.7(2) ?
B1_2 F2_2 K3_4 . . 97.1(2) ?
K4_4 F2_2 K3_4 . . 110.29(8) ?
C2_2 C3_2 C4_2 . . 114.4(4) ?
C2_2 C3_2 H3A_2 . . 108.7 ?
C4_2 C3_2 H3A_2 . . 108.7 ?
C2_2 C3_2 H3AB_2 . . 108.7 ?
C4_2 C3_2 H3AB_2 . . 108.7 ?
H3A_2 C3_2 H3AB_2 . . 107.6 ?
B1_2 F3_2 K2_4 . . 102.2(2) ?
B1_2 F3_2 K4_4 . . 97.5(2) ?
K2_4 F3_2 K4_4 . . 130.96(9) ?
C13_2 C4_2 C5_2 . . 108.4(3) ?
C13_2 C4_2 C3_2 . . 109.3(3) ?
C5_2 C4_2 C3_2 . . 108.6(3) ?
C13_2 C4_2 C6_2 . . 107.1(3) ?
C5_2 C4_2 C6_2 . . 112.5(3) ?
C3_2 C4_2 C6_2 . . 110.9(3) ?
C4_2 C5_2 H5A_2 . . 109.5 ?
C4_2 C5_2 H5B_2 . . 109.5 ?
H5A_2 C5_2 H5B_2 . . 109.5 ?
C4_2 C5_2 H5C_2 . . 109.5 ?
H5A_2 C5_2 H5C_2 . . 109.5 ?
H5B_2 C5_2 H5C_2 . . 109.5 ?
C7_2 C6_2 C4_2 . . 111.6(3) ?
C7_2 C6_2 B1_2 . . 111.8(3) ?
C4_2 C6_2 B1_2 . . 117.9(3) ?
C7_2 C6_2 H6_2 . . 104.7 ?
C4_2 C6_2 H6_2 . . 104.7 ?
B1_2 C6_2 H6_2 . . 104.7 ?
C12_2 C7_2 C8_2 . . 116.7(4) ?
C12_2 C7_2 C6_2 . . 121.1(4) ?
C8_2 C7_2 C6_2 . . 122.1(4) ?
C9_2 C8_2 C7_2 . . 121.0(4) ?
C9_2 C8_2 H8_2 . . 119.5 ?
C7_2 C8_2 H8_2 . . 119.5 ?
C10_2 C9_2 C8_2 . . 121.0(4) ?
C10_2 C9_2 H9_2 . . 119.5 ?
C8_2 C9_2 H9_2 . . 119.5 ?
C9_2 C10_2 C11_2 . . 119.0(4) ?
C9_2 C10_2 H10_2 . . 120.5 ?
C11_2 C10_2 H10_2 . . 120.5 ?
C12_2 C11_2 C10_2 . . 120.3(4) ?
C12_2 C11_2 K4_4 . 1_655 77.3(3) ?
C10_2 C11_2 K4_4 . 1_655 109.6(3) ?
C12_2 C11_2 H11_2 . . 114.6 ?
C10_2 C11_2 H11_2 . . 114.6 ?
K4_4 C11_2 H11_2 1_655 . 114.6 ?
C11_2 C12_2 C7_2 . . 122.0(4) ?
C11_2 C12_2 K4_4 . 1_655 78.7(3) ?
C7_2 C12_2 K4_4 . 1_655 109.7(3) ?
C11_2 C12_2 H12_2 . . 113.8 ?
C7_2 C12_2 H12_2 . . 113.8 ?
K4_4 C12_2 H12_2 1_655 . 113.8 ?
O2_2 C13_2 O1_2 . . 122.5(4) ?
O2_2 C13_2 C4_2 . . 126.0(4) ?
O1_2 C13_2 C4_2 . . 111.4(4) ?
O1_2 C14_2 H14A_2 . . 109.5 ?
O1_2 C14_2 H14B_2 . . 109.5 ?
H14A_2 C14_2 H14B_2 . . 109.5 ?
O1_2 C14_2 H14C_2 . . 109.5 ?
H14A_2 C14_2 H14C_2 . . 109.5 ?
H14B_2 C14_2 H14C_2 . . 109.5 ?
C2_3 C1_3 H1A_3 . . 120.0 ?
C2_3 C1_3 H1B_3 . . 120.0 ?
H1A_3 C1_3 H1B_3 . . 120.0 ?
B1_3 F1_3 K1_4 . . 110.2(2) ?
B1_3 F1_3 K4_4 . 1_655 101.4(3) ?
K1_4 F1_3 K4_4 . 1_655 111.24(8) ?
C6_3 O1_3 C7_3 . . 116.7(3) ?
F1_3 B1_3 F2_3 . . 106.3(4) ?
F1_3 B1_3 F3_3 . . 106.4(4) ?
F2_3 B1_3 F3_3 . . 105.5(4) ?
F1_3 B1_3 C8_3 . . 110.8(4) ?
F2_3 B1_3 C8_3 . . 115.0(4) ?
F3_3 B1_3 C8_3 . . 112.3(4) ?
F1_3 B1_3 K4_4 . 1_655 54.0(2) ?
F2_3 B1_3 K4_4 . 1_655 120.4(3) ?
F3_3 B1_3 K4_4 . 1_655 52.52(19) ?
C8_3 B1_3 K4_4 . 1_655 124.6(3) ?
F1_3 B1_3 K1_4 . . 46.76(19) ?
F2_3 B1_3 K1_4 . . 59.6(2) ?
F3_3 B1_3 K1_4 . . 118.5(3) ?
C8_3 B1_3 K1_4 . . 128.5(3) ?
K4_4 B1_3 K1_4 1_655 . 82.73(12) ?
F1_3 B1_3 K2_4 . . 132.9(3) ?
F2_3 B1_3 K2_4 . . 48.2(2) ?
F3_3 B1_3 K2_4 . . 60.5(2) ?
C8_3 B1_3 K2_4 . . 116.0(3) ?
K4_4 B1_3 K2_4 1_655 . 100.58(13) ?
K1_4 B1_3 K2_4 . . 96.75(12) ?
C1_3 C2_3 C3_3 . . 126.1(5) ?
C1_3 C2_3 H2_3 . . 116.9 ?
C3_3 C2_3 H2_3 . . 116.9 ?
B1_3 F2_3 K2_4 . . 109.5(3) ?
B1_3 F2_3 K1_4 . . 95.6(2) ?
K2_4 F2_3 K1_4 . . 129.21(8) ?
C6_3 O2_3 K2_4 . . 127.6(3) ?
C2_3 C3_3 C4_3 . . 114.1(3) ?
C2_3 C3_3 H3A_3 . . 108.7 ?
C4_3 C3_3 H3A_3 . . 108.7 ?
C2_3 C3_3 H3AB_3 . . 108.7 ?
C4_3 C3_3 H3AB_3 . . 108.7 ?
H3A_3 C3_3 H3AB_3 . . 107.6 ?
B1_3 F3_3 K4_4 . 1_655 102.7(2) ?
B1_3 F3_3 K2_4 . . 95.8(2) ?
K4_4 F3_3 K2_4 1_655 . 131.12(8) ?
C5_3 C4_3 C6_3 . . 110.1(3) ?
C5_3 C4_3 C3_3 . . 108.4(3) ?
C6_3 C4_3 C3_3 . . 109.0(3) ?
C5_3 C4_3 C8_3 . . 112.6(3) ?
C6_3 C4_3 C8_3 . . 106.6(3) ?
C3_3 C4_3 C8_3 . . 110.0(3) ?
C4_3 C5_3 H5A_3 . . 109.5 ?
C4_3 C5_3 H5B_3 . . 109.5 ?
H5A_3 C5_3 H5B_3 . . 109.5 ?
C4_3 C5_3 H5C_3 . . 109.5 ?
H5A_3 C5_3 H5C_3 . . 109.5 ?
H5B_3 C5_3 H5C_3 . . 109.5 ?
O2_3 C6_3 O1_3 . . 122.5(4) ?
O2_3 C6_3 C4_3 . . 125.4(4) ?
O1_3 C6_3 C4_3 . . 112.1(3) ?
O1_3 C7_3 H7A_3 . . 109.5 ?
O1_3 C7_3 H7B_3 . . 109.5 ?
H7A_3 C7_3 H7B_3 . . 109.5 ?
O1_3 C7_3 H7C_3 . . 109.5 ?
H7A_3 C7_3 H7C_3 . . 109.5 ?
H7B_3 C7_3 H7C_3 . . 109.5 ?
C9_3 C8_3 C4_3 . . 112.3(3) ?
C9_3 C8_3 B1_3 . . 111.8(3) ?
C4_3 C8_3 B1_3 . . 117.1(3) ?
C9_3 C8_3 H8_3 . . 104.8 ?
C4_3 C8_3 H8_3 . . 104.8 ?
B1_3 C8_3 H8_3 . . 104.8 ?
C10_3 C9_3 C14_3 . . 116.1(4) ?
C10_3 C9_3 C8_3 . . 120.7(4) ?
C14_3 C9_3 C8_3 . . 123.2(4) ?
C11_3 C10_3 C9_3 . . 121.9(5) ?
C11_3 C10_3 H10_3 . . 119.0 ?
C9_3 C10_3 H10_3 . . 119.0 ?
C12_3 C11_3 C10_3 . . 120.5(4) ?
C12_3 C11_3 H11_3 . . 119.8 ?
C10_3 C11_3 H11_3 . . 119.8 ?
C11_3 C12_3 C13_3 . . 119.7(5) ?
C11_3 C12_3 H12_3 . . 120.1 ?
C13_3 C12_3 H12_3 . . 120.1 ?
C12_3 C13_3 C14_3 . . 119.3(5) ?
C12_3 C13_3 H13_3 . . 120.4 ?
C14_3 C13_3 H13_3 . . 120.4 ?
C9_3 C14_3 C13_3 . . 122.5(4) ?
C9_3 C14_3 H14_3 . . 118.8 ?
C13_3 C14_3 H14_3 . . 118.8 ?
C2_4 C1_4 H1A_4 . . 120.0 ?
C2_4 C1_4 H1B_4 . . 120.0 ?
H1A_4 C1_4 H1B_4 . . 120.0 ?
F1_1 K1_4 F1_3 . . 99.32(9) ?
F1_1 K1_4 F2_4 . 1_655 132.98(9) ?
F1_3 K1_4 F2_4 . 1_655 76.50(8) ?
F1_1 K1_4 O2_4 . 1_655 93.72(9) ?
F1_3 K1_4 O2_4 . 1_655 154.73(9) ?
F2_4 K1_4 O2_4 1_655 1_655 78.76(8) ?
F1_1 K1_4 F1_4 . 1_655 88.31(8) ?
F1_3 K1_4 F1_4 . 1_655 97.74(8) ?
F2_4 K1_4 F1_4 1_655 1_655 47.33(7) ?
O2_4 K1_4 F1_4 1_655 1_655 60.93(8) ?
F1_1 K1_4 F2_3 . . 100.05(8) ?
F1_3 K1_4 F2_3 . . 47.85(7) ?
F2_4 K1_4 F2_3 1_655 . 109.40(7) ?
O2_4 K1_4 F2_3 1_655 . 149.90(9) ?
F1_4 K1_4 F2_3 1_655 . 145.34(7) ?
F1_1 K1_4 F3_1 . . 46.38(7) ?
F1_3 K1_4 F3_1 . . 69.89(7) ?
F2_4 K1_4 F3_1 1_655 . 90.61(8) ?
O2_4 K1_4 F3_1 1_655 . 105.48(8) ?
F1_4 K1_4 F3_1 1_655 . 59.19(7) ?
F2_3 K1_4 F3_1 . . 103.38(8) ?
F1_1 K1_4 C10_4 . . 94.73(10) ?
F1_3 K1_4 C10_4 . . 132.80(10) ?
F2_4 K1_4 C10_4 1_655 . 122.77(10) ?
O2_4 K1_4 C10_4 1_655 . 66.73(10) ?
F1_4 K1_4 C10_4 1_655 . 127.66(10) ?
F2_3 K1_4 C10_4 . . 85.45(10) ?
F3_1 K1_4 C10_4 . . 140.85(9) ?
F1_1 K1_4 C11_4 . . 118.90(10) ?
F1_3 K1_4 C11_4 . . 124.47(10) ?
F2_4 K1_4 C11_4 1_655 . 99.93(10) ?
O2_4 K1_4 C11_4 1_655 . 65.08(10) ?
F1_4 K1_4 C11_4 1_655 . 120.43(10) ?
F2_3 K1_4 C11_4 . . 84.85(10) ?
F3_1 K1_4 C11_4 . . 163.75(9) ?
C10_4 K1_4 C11_4 . . 24.38(10) ?
F1_1 K1_4 B1_3 . . 101.04(11) ?
F1_3 K1_4 B1_3 . . 23.06(10) ?
F2_4 K1_4 B1_3 1_655 . 92.17(10) ?
O2_4 K1_4 B1_3 1_655 . 165.14(11) ?
F1_4 K1_4 B1_3 1_655 . 120.66(11) ?
F2_3 K1_4 B1_3 . . 24.80(10) ?
F3_1 K1_4 B1_3 . . 86.18(10) ?
C10_4 K1_4 B1_3 . . 109.95(12) ?
C11_4 K1_4 B1_3 . . 105.57(12) ?
F1_1 K1_4 B1_4 . 1_655 112.57(11) ?
F1_3 K1_4 B1_4 . 1_655 90.11(11) ?
F2_4 K1_4 B1_4 1_655 1_655 23.43(9) ?
O2_4 K1_4 B1_4 1_655 1_655 64.83(11) ?
F1_4 K1_4 B1_4 1_655 1_655 24.50(9) ?
F2_3 K1_4 B1_4 . 1_655 130.96(10) ?
F3_1 K1_4 B1_4 . 1_655 77.35(10) ?
C10_4 K1_4 B1_4 . 1_655 125.05(13) ?
C11_4 K1_4 B1_4 . 1_655 108.03(12) ?
B1_3 K1_4 B1_4 . 1_655 110.10(13) ?
F1_1 K1_4 B1_1 . . 21.90(10) ?
F1_3 K1_4 B1_1 . . 83.52(11) ?
F2_4 K1_4 B1_1 1_655 . 114.28(11) ?
O2_4 K1_4 B1_1 1_655 . 102.19(11) ?
F1_4 K1_4 B1_1 1_655 . 75.47(10) ?
F2_3 K1_4 B1_1 . . 100.41(11) ?
F3_1 K1_4 B1_1 . . 24.69(9) ?
C10_4 K1_4 B1_1 . . 116.63(12) ?
C11_4 K1_4 B1_1 . . 140.77(12) ?
B1_3 K1_4 B1_1 . . 92.24(13) ?
B1_4 K1_4 B1_1 1_655 . 97.65(13) ?
F3_4 B1_4 F2_4 . . 106.8(4) ?
F3_4 B1_4 F1_4 . . 105.3(4) ?
F2_4 B1_4 F1_4 . . 105.1(4) ?
F3_4 B1_4 C8_4 . . 110.8(4) ?
F2_4 B1_4 C8_4 . . 116.0(4) ?
F1_4 B1_4 C8_4 . . 112.1(4) ?
F3_4 B1_4 K3_4 . . 56.4(2) ?
F2_4 B1_4 K3_4 . . 115.1(3) ?
F1_4 B1_4 K3_4 . . 48.89(19) ?
C8_4 B1_4 K3_4 . . 128.7(3) ?
F3_4 B1_4 K1_4 . 1_455 128.6(3) ?
F2_4 B1_4 K1_4 . 1_455 49.4(2) ?
F1_4 B1_4 K1_4 . 1_455 57.5(2) ?
C8_4 B1_4 K1_4 . 1_455 120.6(3) ?
K3_4 B1_4 K1_4 . 1_455 90.17(13) ?
F3_4 B1_4 K2_4 . . 44.7(2) ?
F2_4 B1_4 K2_4 . . 62.1(2) ?
F1_4 B1_4 K2_4 . . 117.4(3) ?
C8_4 B1_4 K2_4 . . 128.9(3) ?
K3_4 B1_4 K2_4 . . 79.77(12) ?
K1_4 B1_4 K2_4 1_455 . 96.60(14) ?
B1_4 F1_4 K3_4 . . 107.6(3) ?
B1_4 F1_4 K1_4 . 1_455 98.0(2) ?
K3_4 F1_4 K1_4 . 1_455 119.15(9) ?
C6_4 O1_4 C7_4 . . 113.8(3) ?
C1_4 C2_4 C3_4 . . 125.4(5) ?
C1_4 C2_4 H2_4 . . 117.3 ?
C3_4 C2_4 H2_4 . . 117.3 ?
F3_4 K2_4 O2_3 . . 157.53(10) ?
F3_4 K2_4 F3_2 . . 102.07(8) ?
O2_3 K2_4 F3_2 . . 91.49(9) ?
F3_4 K2_4 F1_2 . . 69.35(8) ?
O2_3 K2_4 F1_2 . . 108.93(9) ?
F3_2 K2_4 F1_2 . . 48.30(7) ?
F3_4 K2_4 F2_3 . . 78.47(8) ?
O2_3 K2_4 F2_3 . . 79.85(9) ?
F3_2 K2_4 F2_3 . . 142.17(8) ?
F1_2 K2_4 F2_3 . . 99.77(8) ?
F3_4 K2_4 F2_4 . . 46.52(7) ?
O2_3 K2_4 F2_4 . . 148.12(9) ?
F3_2 K2_4 F2_4 . . 101.03(7) ?
F1_2 K2_4 F2_4 . . 101.16(7) ?
F2_3 K2_4 F2_4 . . 105.59(8) ?
F3_4 K2_4 F3_3 . . 99.86(8) ?
O2_3 K2_4 F3_3 . . 59.94(8) ?
F3_2 K2_4 F3_3 . . 98.85(7) ?
F1_2 K2_4 F3_3 . . 70.98(7) ?
F2_3 K2_4 F3_3 . . 45.12(7) ?
F2_4 K2_4 F3_3 . . 143.88(7) ?
F3_4 K2_4 B1_2 . . 87.65(10) ?
O2_3 K2_4 B1_2 . . 98.24(11) ?
F3_2 K2_4 B1_2 . . 24.45(10) ?
F1_2 K2_4 B1_2 . . 24.21(10) ?
F2_3 K2_4 B1_2 . . 120.17(11) ?
F2_4 K2_4 B1_2 . . 105.26(10) ?
F3_3 K2_4 B1_2 . . 82.02(10) ?
F3_4 K2_4 B1_4 . . 22.10(10) ?
O2_3 K2_4 B1_4 . . 164.69(12) ?
F3_2 K2_4 B1_4 . . 103.14(10) ?
F1_2 K2_4 B1_4 . . 84.59(10) ?
F2_3 K2_4 B1_4 . . 91.03(11) ?
F2_4 K2_4 B1_4 . . 24.44(10) ?
F3_3 K2_4 B1_4 . . 120.92(11) ?
B1_2 K2_4 B1_4 . . 96.98(12) ?
F3_4 K2_4 B1_3 . . 93.04(10) ?
O2_3 K2_4 B1_3 . . 64.50(11) ?
F3_2 K2_4 B1_3 . . 122.61(11) ?
F1_2 K2_4 B1_3 . . 89.34(10) ?
F2_3 K2_4 B1_3 . . 22.35(10) ?
F2_4 K2_4 B1_3 . . 127.35(10) ?
F3_3 K2_4 B1_3 . . 23.76(9) ?
B1_2 K2_4 B1_3 . . 104.50(12) ?
B1_4 K2_4 B1_3 . . 109.81(13) ?
F3_4 K2_4 K3_4 . . 39.29(6) ?
O2_3 K2_4 K3_4 . . 144.12(8) ?
F3_2 K2_4 K3_4 . . 63.76(6) ?
F1_2 K2_4 K3_4 . . 35.22(5) ?
F2_3 K2_4 K3_4 . . 103.41(6) ?
F2_4 K2_4 K3_4 . . 66.35(6) ?
F3_3 K2_4 K3_4 . . 96.73(5) ?
B1_2 K2_4 K3_4 . . 48.73(9) ?
B1_4 K2_4 K3_4 . . 49.95(9) ?
B1_3 K2_4 K3_4 . . 105.84(9) ?
B1_4 F2_4 K1_4 . 1_455 107.2(2) ?
B1_4 F2_4 K2_4 . . 93.4(2) ?
K1_4 F2_4 K2_4 1_455 . 125.28(10) ?
C6_4 O2_4 K1_4 . 1_455 125.1(3) ?
C2_4 C3_4 C4_4 . . 115.2(4) ?
C2_4 C3_4 H3A_4 . . 108.5 ?
C4_4 C3_4 H3A_4 . . 108.5 ?
C2_4 C3_4 H3AB_4 . . 108.5 ?
C4_4 C3_4 H3AB_4 . . 108.5 ?
H3A_4 C3_4 H3AB_4 . . 107.5 ?
O1_1 K3_4 F1_2 . . 121.98(10) ?
O1_1 K3_4 F1_4 . . 91.49(10) ?
F1_2 K3_4 F1_4 . . 106.73(8) ?
O1_1 K3_4 F3_1 . 1_455 134.48(9) ?
F1_2 K3_4 F3_1 . 1_455 102.50(8) ?
F1_4 K3_4 F3_1 . 1_455 64.86(8) ?
O1_1 K3_4 F2_2 . . 150.73(9) ?
F1_2 K3_4 F2_2 . . 48.95(7) ?
F1_4 K3_4 F2_2 . . 117.53(8) ?
F3_1 K3_4 F2_2 1_455 . 67.78(7) ?
O1_1 K3_4 F3_4 . . 90.65(9) ?
F1_2 K3_4 F3_4 . . 67.28(7) ?
F1_4 K3_4 F3_4 . . 47.47(7) ?
F3_1 K3_4 F3_4 1_455 . 98.58(8) ?
F2_2 K3_4 F3_4 . . 105.85(8) ?
O1_1 K3_4 B1_2 . . 142.11(12) ?
F1_2 K3_4 B1_2 . . 24.14(10) ?
F1_4 K3_4 B1_2 . . 111.54(11) ?
F3_1 K3_4 B1_2 1_455 . 83.33(10) ?
F2_2 K3_4 B1_2 . . 25.09(10) ?
F3_4 K3_4 B1_2 . . 84.39(10) ?
O1_1 K3_4 B1_4 . . 91.74(12) ?
F1_2 K3_4 B1_4 . . 86.77(10) ?
F1_4 K3_4 B1_4 . . 23.56(10) ?
F3_1 K3_4 B1_4 1_455 . 80.81(11) ?
F2_2 K3_4 B1_4 . . 113.18(11) ?
F3_4 K3_4 B1_4 . . 23.93(10) ?
B1_2 K3_4 B1_4 . . 98.10(13) ?
O1_1 K3_4 C9_1 . 1_455 75.18(11) ?
F1_2 K3_4 C9_1 . 1_455 142.66(11) ?
F1_4 K3_4 C9_1 . 1_455 105.47(10) ?
F3_1 K3_4 C9_1 1_455 1_455 74.88(9) ?
F2_2 K3_4 C9_1 . 1_455 98.84(10) ?
F3_4 K3_4 C9_1 . 1_455 149.87(10) ?
B1_2 K3_4 C9_1 . 1_455 122.98(12) ?
B1_4 K3_4 C9_1 . 1_455 128.18(12) ?
O1_1 K3_4 K2_4 . . 120.40(8) ?
F1_2 K3_4 K2_4 . . 37.09(6) ?
F1_4 K3_4 K2_4 . . 69.70(6) ?
F3_1 K3_4 K2_4 1_455 . 88.62(5) ?
F2_2 K3_4 K2_4 . . 70.86(6) ?
F3_4 K3_4 K2_4 . . 35.17(5) ?
B1_2 K3_4 K2_4 . . 49.56(9) ?
B1_4 K3_4 K2_4 . . 50.28(9) ?
C9_1 K3_4 K2_4 1_455 . 163.09(8) ?
O1_1 K3_4 K4_4 . . 167.27(7) ?
F1_2 K3_4 K4_4 . . 70.25(6) ?
F1_4 K3_4 K4_4 . . 87.70(7) ?
F3_1 K3_4 K4_4 1_455 . 35.09(5) ?
F2_2 K3_4 K4_4 . . 33.87(5) ?
F3_4 K3_4 K4_4 . . 98.10(6) ?
B1_2 K3_4 K4_4 . . 48.74(9) ?
B1_4 K3_4 K4_4 . . 92.56(10) ?
C9_1 K3_4 K4_4 1_455 . 92.79(8) ?
K2_4 K3_4 K4_4 . . 71.11(3) ?
O1_1 K3_4 K1_4 . 1_455 120.84(8) ?
F1_2 K3_4 K1_4 . 1_455 97.51(6) ?
F1_4 K3_4 K1_4 . 1_455 31.70(6) ?
F3_1 K3_4 K1_4 1_455 1_455 35.87(6) ?
F2_2 K3_4 K1_4 . 1_455 88.33(6) ?
F3_4 K3_4 K1_4 . 1_455 64.33(6) ?
B1_2 K3_4 K1_4 . 1_455 90.57(9) ?
B1_4 K3_4 K1_4 . 1_455 44.94(9) ?
C9_1 K3_4 K1_4 1_455 1_455 100.00(8) ?
K2_4 K3_4 K1_4 . 1_455 67.10(3) ?
K4_4 K3_4 K1_4 . 1_455 56.37(3) ?
B1_4 F3_4 K2_4 . . 113.3(3) ?
B1_4 F3_4 K3_4 . . 99.7(2) ?
K2_4 F3_4 K3_4 . . 105.54(9) ?
C6_4 C4_4 C5_4 . . 108.5(3) ?
C6_4 C4_4 C3_4 . . 109.8(3) ?
C5_4 C4_4 C3_4 . . 108.9(3) ?
C6_4 C4_4 C8_4 . . 107.3(3) ?
C5_4 C4_4 C8_4 . . 112.9(3) ?
C3_4 C4_4 C8_4 . . 109.4(3) ?
F2_2 K4_4 F3_3 . 1_455 146.04(8) ?
F2_2 K4_4 F2_1 . 1_455 104.15(8) ?
F3_3 K4_4 F2_1 1_455 1_455 98.89(8) ?
F2_2 K4_4 F1_3 . 1_455 102.43(8) ?
F3_3 K4_4 F1_3 1_455 1_455 49.28(7) ?
F2_1 K4_4 F1_3 1_455 1_455 97.88(8) ?
F2_2 K4_4 F3_1 . 1_455 69.95(8) ?
F3_3 K4_4 F3_1 1_455 1_455 109.62(8) ?
F2_1 K4_4 F3_1 1_455 1_455 48.97(8) ?
F1_3 K4_4 F3_1 1_455 1_455 72.51(7) ?
F2_2 K4_4 O2_2 . . 75.54(8) ?
F3_3 K4_4 O2_2 1_455 . 95.89(8) ?
F2_1 K4_4 O2_2 1_455 . 150.82(9) ?
F1_3 K4_4 O2_2 1_455 . 110.79(8) ?
F3_1 K4_4 O2_2 1_455 . 145.07(9) ?
F2_2 K4_4 F3_2 . . 47.12(7) ?
F3_3 K4_4 F3_2 1_455 . 99.66(8) ?
F2_1 K4_4 F3_2 1_455 . 138.81(8) ?
F1_3 K4_4 F3_2 1_455 . 68.41(7) ?
F3_1 K4_4 F3_2 1_455 . 90.09(7) ?
O2_2 K4_4 F3_2 . . 61.65(8) ?
F2_2 K4_4 C12_2 . 1_455 115.93(9) ?
F3_3 K4_4 C12_2 1_455 1_455 89.42(10) ?
F2_1 K4_4 C12_2 1_455 1_455 87.49(10) ?
F1_3 K4_4 C12_2 1_455 1_455 138.70(9) ?
F3_1 K4_4 C12_2 1_455 1_455 133.68(9) ?
O2_2 K4_4 C12_2 . 1_455 67.59(10) ?
F3_2 K4_4 C12_2 . 1_455 129.03(9) ?
F2_2 K4_4 C11_2 . 1_455 93.15(10) ?
F3_3 K4_4 C11_2 1_455 1_455 113.40(10) ?
F2_1 K4_4 C11_2 1_455 1_455 85.55(10) ?
F1_3 K4_4 C11_2 1_455 1_455 162.61(10) ?
F3_1 K4_4 C11_2 1_455 1_455 120.91(10) ?
O2_2 K4_4 C11_2 . 1_455 65.47(10) ?
F3_2 K4_4 C11_2 . 1_455 119.34(9) ?
C12_2 K4_4 C11_2 1_455 1_455 24.03(10) ?
F2_2 K4_4 B1_3 . 1_455 124.49(11) ?
F3_3 K4_4 B1_3 1_455 1_455 24.78(10) ?
F2_1 K4_4 B1_3 1_455 1_455 100.33(11) ?
F1_3 K4_4 B1_3 1_455 1_455 24.54(10) ?
F3_1 K4_4 B1_3 1_455 1_455 91.73(11) ?
O2_2 K4_4 B1_3 . 1_455 103.57(11) ?
F3_2 K4_4 B1_3 . 1_455 82.76(10) ?
C12_2 K4_4 B1_3 1_455 1_455 114.17(12) ?
C11_2 K4_4 B1_3 1_455 1_455 138.08(13) ?
F2_2 K4_4 B1_1 . 1_455 88.54(11) ?
F3_3 K4_4 B1_1 1_455 1_455 103.76(11) ?
F2_1 K4_4 B1_1 1_455 1_455 24.02(10) ?
F1_3 K4_4 B1_1 1_455 1_455 83.62(10) ?
F3_1 K4_4 B1_1 1_455 1_455 25.08(10) ?
O2_2 K4_4 B1_1 . 1_455 160.30(11) ?
F3_2 K4_4 B1_1 . 1_455 115.16(11) ?
C12_2 K4_4 B1_1 1_455 1_455 110.87(12) ?
C11_2 K4_4 B1_1 1_455 1_455 104.67(12) ?
B1_3 K4_4 B1_1 1_455 1_455 94.95(13) ?
F2_2 K4_4 B1_2 . . 23.11(9) ?
F3_3 K4_4 B1_2 1_455 . 124.01(10) ?
F2_1 K4_4 B1_2 1_455 . 124.35(11) ?
F1_3 K4_4 B1_2 1_455 . 87.68(10) ?
F3_1 K4_4 B1_2 1_455 . 81.64(10) ?
O2_2 K4_4 B1_2 . . 64.13(11) ?
F3_2 K4_4 B1_2 . . 24.36(9) ?
C12_2 K4_4 B1_2 1_455 . 122.60(11) ?
C11_2 K4_4 B1_2 1_455 . 104.52(12) ?
B1_3 K4_4 B1_2 1_455 . 105.77(13) ?
B1_1 K4_4 B1_2 1_455 . 104.62(13) ?
C4_4 C5_4 H5A_4 . . 109.5 ?
C4_4 C5_4 H5B_4 . . 109.5 ?
H5A_4 C5_4 H5B_4 . . 109.5 ?
C4_4 C5_4 H5C_4 . . 109.5 ?
H5A_4 C5_4 H5C_4 . . 109.5 ?
H5B_4 C5_4 H5C_4 . . 109.5 ?
O2_4 C6_4 O1_4 . . 122.8(4) ?
O2_4 C6_4 C4_4 . . 124.8(4) ?
O1_4 C6_4 C4_4 . . 112.4(4) ?
O1_4 C7_4 H7A_4 . . 109.5 ?
O1_4 C7_4 H7B_4 . . 109.5 ?
H7A_4 C7_4 H7B_4 . . 109.5 ?
O1_4 C7_4 H7C_4 . . 109.5 ?
H7A_4 C7_4 H7C_4 . . 109.5 ?
H7B_4 C7_4 H7C_4 . . 109.5 ?
C9_4 C8_4 C4_4 . . 110.4(3) ?
C9_4 C8_4 B1_4 . . 112.4(3) ?
C4_4 C8_4 B1_4 . . 118.4(4) ?
C9_4 C8_4 H8_4 . . 104.7 ?
C4_4 C8_4 H8_4 . . 104.7 ?
B1_4 C8_4 H8_4 . . 104.7 ?
C14_4 C9_4 C10_4 . . 117.6(4) ?
C14_4 C9_4 C8_4 . . 121.9(4) ?
C10_4 C9_4 C8_4 . . 120.4(4) ?
C9_4 C10_4 C11_4 . . 121.0(4) ?
C9_4 C10_4 K1_4 . . 109.3(3) ?
C11_4 C10_4 K1_4 . . 78.5(2) ?
C9_4 C10_4 H10_4 . . 114.2 ?
C11_4 C10_4 H10_4 . . 114.2 ?
K1_4 C10_4 H10_4 . . 114.2 ?
C12_4 C11_4 C10_4 . . 120.2(4) ?
C12_4 C11_4 K1_4 . . 109.1(3) ?
C10_4 C11_4 K1_4 . . 77.2(2) ?
C12_4 C11_4 H11_4 . . 114.8 ?
C10_4 C11_4 H11_4 . . 114.8 ?
K1_4 C11_4 H11_4 . . 114.8 ?
C11_4 C12_4 C13_4 . . 119.2(4) ?
C11_4 C12_4 H12_4 . . 120.4 ?
C13_4 C12_4 H12_4 . . 120.4 ?
C14_4 C13_4 C12_4 . . 120.8(4) ?
C14_4 C13_4 H13_4 . . 119.6 ?
C12_4 C13_4 H13_4 . . 119.6 ?
C13_4 C14_4 C9_4 . . 121.1(4) ?
C13_4 C14_4 H14_4 . . 119.5 ?
C9_4 C14_4 H14_4 . . 119.5 ?

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
C1_1 C2_1 C3_1 C4_1 . . . . -136.4(5) ?
C2_1 C3_1 C4_1 C5_1 . . . . -55.0(5) ?
C2_1 C3_1 C4_1 C14_1 . . . . 64.0(5) ?
C2_1 C3_1 C4_1 C7_1 . . . . -171.6(4) ?
C6_1 O2_1 C5_1 O1_1 . . . . 9.8(6) ?
C6_1 O2_1 C5_1 C4_1 . . . . -171.1(3) ?
C14_1 C4_1 C5_1 O1_1 . . . . 7.7(6) ?
C3_1 C4_1 C5_1 O1_1 . . . . 127.7(4) ?
C7_1 C4_1 C5_1 O1_1 . . . . -113.5(5) ?
C14_1 C4_1 C5_1 O2_1 . . . . -171.5(3) ?
C3_1 C4_1 C5_1 O2_1 . . . . -51.4(4) ?
C7_1 C4_1 C5_1 O2_1 . . . . 67.3(4) ?
C5_1 C4_1 C7_1 C8_1 . . . . 178.3(4) ?
C14_1 C4_1 C7_1 C8_1 . . . . 59.1(5) ?
C3_1 C4_1 C7_1 C8_1 . . . . -64.4(5) ?
C5_1 C4_1 C7_1 B1_1 . . . . 47.2(5) ?
C14_1 C4_1 C7_1 B1_1 . . . . -72.1(5) ?
C3_1 C4_1 C7_1 B1_1 . . . . 164.4(4) ?
C4_1 C7_1 C8_1 C9_1 . . . . 92.1(5) ?
B1_1 C7_1 C8_1 C9_1 . . . . -136.3(4) ?
C4_1 C7_1 C8_1 C13_1 . . . . -89.3(4) ?
B1_1 C7_1 C8_1 C13_1 . . . . 42.4(5) ?
C13_1 C8_1 C9_1 C10_1 . . . . 1.6(6) ?
C7_1 C8_1 C9_1 C10_1 . . . . -179.8(4) ?
C13_1 C8_1 C9_1 K3_4 . . . 1_655 -87.0(3) ?
C7_1 C8_1 C9_1 K3_4 . . . 1_655 91.7(3) ?
C8_1 C9_1 C10_1 C11_1 . . . . -2.0(7) ?
K3_4 C9_1 C10_1 C11_1 1_655 . . . 78.5(4) ?
C9_1 C10_1 C11_1 C12_1 . . . . 0.7(7) ?
C10_1 C11_1 C12_1 C13_1 . . . . 1.0(7) ?
C11_1 C12_1 C13_1 C8_1 . . . . -1.5(6) ?
C9_1 C8_1 C13_1 C12_1 . . . . 0.2(6) ?
C7_1 C8_1 C13_1 C12_1 . . . . -178.5(4) ?
O2_1 C5_1 O1_1 K3_4 . . . . -123.4(6) ?
C4_1 C5_1 O1_1 K3_4 . . . . 57.5(8) ?
K4_4 F2_1 B1_1 F1_1 1_655 . . . -105.3(3) ?
K4_4 F2_1 B1_1 F3_1 1_655 . . . 6.7(4) ?
K4_4 F2_1 B1_1 C7_1 1_655 . . . 129.2(3) ?
K4_4 F2_1 B1_1 K1_4 1_655 . . . -59.2(2) ?
K1_4 F1_1 B1_1 F2_1 . . . . 103.4(3) ?
K1_4 F1_1 B1_1 F3_1 . . . . -9.6(4) ?
K1_4 F1_1 B1_1 C7_1 . . . . -128.2(3) ?
K1_4 F1_1 B1_1 K4_4 . . . 1_655 48.0(3) ?
K4_4 F3_1 B1_1 F2_1 1_655 . . . -6.4(4) ?
K3_4 F3_1 B1_1 F2_1 1_655 . . . 126.9(3) ?
K1_4 F3_1 B1_1 F2_1 . . . . -106.4(3) ?
K4_4 F3_1 B1_1 F1_1 1_655 . . . 107.4(3) ?
K3_4 F3_1 B1_1 F1_1 1_655 . . . -119.3(3) ?
K1_4 F3_1 B1_1 F1_1 . . . . 7.4(3) ?
K4_4 F3_1 B1_1 C7_1 1_655 . . . -133.0(3) ?
K3_4 F3_1 B1_1 C7_1 1_655 . . . 0.3(6) ?
K1_4 F3_1 B1_1 C7_1 . . . . 127.0(3) ?
K3_4 F3_1 B1_1 K4_4 1_655 . . 1_655 133.3(4) ?
K1_4 F3_1 B1_1 K4_4 . . . 1_655 -99.99(10) ?
K4_4 F3_1 B1_1 K1_4 1_655 . . . 99.99(10) ?
K3_4 F3_1 B1_1 K1_4 1_655 . . . -126.7(3) ?
C8_1 C7_1 B1_1 F2_1 . . . . -72.7(5) ?
C4_1 C7_1 B1_1 F2_1 . . . . 57.1(5) ?
C8_1 C7_1 B1_1 F1_1 . . . . 163.6(4) ?
C4_1 C7_1 B1_1 F1_1 . . . . -66.6(5) ?
C8_1 C7_1 B1_1 F3_1 . . . . 48.0(5) ?
C4_1 C7_1 B1_1 F3_1 . . . . 177.8(3) ?
C8_1 C7_1 B1_1 K4_4 . . . 1_655 -11.2(6) ?
C4_1 C7_1 B1_1 K4_4 . . . 1_655 118.6(4) ?
C8_1 C7_1 B1_1 K1_4 . . . . 117.6(4) ?
C4_1 C7_1 B1_1 K1_4 . . . . -112.6(4) ?
K3_4 F1_2 B1_2 F2_2 . . . . 10.7(4) ?
K2_4 F1_2 B1_2 F2_2 . . . . 123.3(3) ?
K3_4 F1_2 B1_2 F3_2 . . . . -101.2(3) ?
K2_4 F1_2 B1_2 F3_2 . . . . 11.4(3) ?
K3_4 F1_2 B1_2 C6_2 . . . . 136.9(3) ?
K2_4 F1_2 B1_2 C6_2 . . . . -110.5(3) ?
K2_4 F1_2 B1_2 K3_4 . . . . 112.62(15) ?
K3_4 F1_2 B1_2 K2_4 . . . . -112.62(15) ?
K3_4 F1_2 B1_2 K4_4 . . . . -39.4(3) ?
K2_4 F1_2 B1_2 K4_4 . . . . 73.2(3) ?
F1_2 B1_2 F2_2 K4_4 . . . . -124.0(3) ?
F3_2 B1_2 F2_2 K4_4 . . . . -11.8(4) ?
C6_2 B1_2 F2_2 K4_4 . . . . 112.1(3) ?
K3_4 B1_2 F2_2 K4_4 . . . . -114.30(15) ?
K2_4 B1_2 F2_2 K4_4 . . . . -67.2(3) ?
F1_2 B1_2 F2_2 K3_4 . . . . -9.7(3) ?
F3_2 B1_2 F2_2 K3_4 . . . . 102.5(3) ?
C6_2 B1_2 F2_2 K3_4 . . . . -133.6(3) ?
K2_4 B1_2 F2_2 K3_4 . . . . 47.1(3) ?
K4_4 B1_2 F2_2 K3_4 . . . . 114.30(15) ?
C1_2 C2_2 C3_2 C4_2 . . . . 120.7(5) ?
F1_2 B1_2 F3_2 K2_4 . . . . -11.4(3) ?
F2_2 B1_2 F3_2 K2_4 . . . . -124.5(3) ?
C6_2 B1_2 F3_2 K2_4 . . . . 109.8(3) ?
K3_4 B1_2 F3_2 K2_4 . . . . -63.9(2) ?
K4_4 B1_2 F3_2 K2_4 . . . . -134.82(14) ?
F1_2 B1_2 F3_2 K4_4 . . . . 123.4(3) ?
F2_2 B1_2 F3_2 K4_4 . . . . 10.3(3) ?
C6_2 B1_2 F3_2 K4_4 . . . . -115.3(3) ?
K3_4 B1_2 F3_2 K4_4 . . . . 70.88(18) ?
K2_4 B1_2 F3_2 K4_4 . . . . 134.82(14) ?
C2_2 C3_2 C4_2 C13_2 . . . . 56.8(5) ?
C2_2 C3_2 C4_2 C5_2 . . . . -61.3(5) ?
C2_2 C3_2 C4_2 C6_2 . . . . 174.7(4) ?
C13_2 C4_2 C6_2 C7_2 . . . . -172.4(3) ?
C5_2 C4_2 C6_2 C7_2 . . . . -53.4(4) ?
C3_2 C4_2 C6_2 C7_2 . . . . 68.4(4) ?
C13_2 C4_2 C6_2 B1_2 . . . . -41.0(5) ?
C5_2 C4_2 C6_2 B1_2 . . . . 78.0(4) ?
C3_2 C4_2 C6_2 B1_2 . . . . -160.2(3) ?
F1_2 B1_2 C6_2 C7_2 . . . . -49.2(5) ?
F2_2 B1_2 C6_2 C7_2 . . . . 72.5(5) ?
F3_2 B1_2 C6_2 C7_2 . . . . -167.3(3) ?
K3_4 B1_2 C6_2 C7_2 . . . . 3.7(6) ?
K2_4 B1_2 C6_2 C7_2 . . . . -108.2(3) ?
K4_4 B1_2 C6_2 C7_2 . . . . 127.3(3) ?
F1_2 B1_2 C6_2 C4_2 . . . . 179.5(3) ?
F2_2 B1_2 C6_2 C4_2 . . . . -58.8(5) ?
F3_2 B1_2 C6_2 C4_2 . . . . 61.4(5) ?
K3_4 B1_2 C6_2 C4_2 . . . . -127.6(4) ?
K2_4 B1_2 C6_2 C4_2 . . . . 120.5(3) ?
K4_4 B1_2 C6_2 C4_2 . . . . -4.0(5) ?
C4_2 C6_2 C7_2 C12_2 . . . . -92.8(5) ?
B1_2 C6_2 C7_2 C12_2 . . . . 132.7(4) ?
C4_2 C6_2 C7_2 C8_2 . . . . 89.8(5) ?
B1_2 C6_2 C7_2 C8_2 . . . . -44.7(5) ?
C12_2 C7_2 C8_2 C9_2 . . . . 1.4(6) ?
C6_2 C7_2 C8_2 C9_2 . . . . 178.9(4) ?
C7_2 C8_2 C9_2 C10_2 . . . . -0.1(7) ?
C8_2 C9_2 C10_2 C11_2 . . . . -0.9(7) ?
C9_2 C10_2 C11_2 C12_2 . . . . 0.5(7) ?
C9_2 C10_2 C11_2 K4_4 . . . 1_655 -85.9(4) ?
C10_2 C11_2 C12_2 C7_2 . . . . 0.8(7) ?
K4_4 C11_2 C12_2 C7_2 1_655 . . . 106.3(4) ?
C10_2 C11_2 C12_2 K4_4 . . . 1_655 -105.5(4) ?
C8_2 C7_2 C12_2 C11_2 . . . . -1.7(6) ?
C6_2 C7_2 C12_2 C11_2 . . . . -179.3(4) ?
C8_2 C7_2 C12_2 K4_4 . . . 1_655 87.0(4) ?
C6_2 C7_2 C12_2 K4_4 . . . 1_655 -90.5(4) ?
K4_4 O2_2 C13_2 O1_2 . . . . 97.9(4) ?
K4_4 O2_2 C13_2 C4_2 . . . . -79.8(5) ?
C14_2 O1_2 C13_2 O2_2 . . . . -7.0(6) ?
C14_2 O1_2 C13_2 C4_2 . . . . 171.1(4) ?
C5_2 C4_2 C13_2 O2_2 . . . . -16.8(6) ?
C3_2 C4_2 C13_2 O2_2 . . . . -135.1(4) ?
C6_2 C4_2 C13_2 O2_2 . . . . 104.7(5) ?
C5_2 C4_2 C13_2 O1_2 . . . . 165.2(3) ?
C3_2 C4_2 C13_2 O1_2 . . . . 46.9(5) ?
C6_2 C4_2 C13_2 O1_2 . . . . -73.2(4) ?
K1_4 F1_3 B1_3 F2_3 . . . . 1.8(4) ?
K4_4 F1_3 B1_3 F2_3 1_655 . . . -116.1(3) ?
K1_4 F1_3 B1_3 F3_3 . . . . 113.9(3) ?
K4_4 F1_3 B1_3 F3_3 1_655 . . . -4.0(3) ?
K1_4 F1_3 B1_3 C8_3 . . . . -123.8(3) ?
K4_4 F1_3 B1_3 C8_3 1_655 . . . 118.3(3) ?
K1_4 F1_3 B1_3 K4_4 . . . 1_655 117.91(17) ?
K4_4 F1_3 B1_3 K1_4 1_655 . . . -117.91(17) ?
K1_4 F1_3 B1_3 K2_4 . . . . 49.3(4) ?
K4_4 F1_3 B1_3 K2_4 1_655 . . . -68.7(4) ?
F1_3 B1_3 F2_3 K2_4 . . . . 133.6(3) ?
F3_3 B1_3 F2_3 K2_4 . . . . 20.8(4) ?
C8_3 B1_3 F2_3 K2_4 . . . . -103.4(4) ?
K4_4 B1_3 F2_3 K2_4 1_655 . . . 76.1(3) ?
K1_4 B1_3 F2_3 K2_4 . . . . 135.14(16) ?
F1_3 B1_3 F2_3 K1_4 . . . . -1.6(3) ?
F3_3 B1_3 F2_3 K1_4 . . . . -114.3(3) ?
C8_3 B1_3 F2_3 K1_4 . . . . 121.5(3) ?
K4_4 B1_3 F2_3 K1_4 1_655 . . . -59.0(3) ?
K2_4 B1_3 F2_3 K1_4 . . . . -135.14(16) ?
C1_3 C2_3 C3_3 C4_3 . . . . -123.2(5) ?
F1_3 B1_3 F3_3 K4_4 . . . 1_655 4.1(3) ?
F2_3 B1_3 F3_3 K4_4 . . . 1_655 116.7(3) ?
C8_3 B1_3 F3_3 K4_4 . . . 1_655 -117.3(3) ?
K1_4 B1_3 F3_3 K4_4 . . . 1_655 53.3(3) ?
K2_4 B1_3 F3_3 K4_4 . . . 1_655 134.45(13) ?
F1_3 B1_3 F3_3 K2_4 . . . . -130.4(3) ?
F2_3 B1_3 F3_3 K2_4 . . . . -17.7(3) ?
C8_3 B1_3 F3_3 K2_4 . . . . 108.2(3) ?
K4_4 B1_3 F3_3 K2_4 1_655 . . . -134.45(13) ?
K1_4 B1_3 F3_3 K2_4 . . . . -81.1(2) ?
C2_3 C3_3 C4_3 C5_3 . . . . 65.7(5) ?
C2_3 C3_3 C4_3 C6_3 . . . . -54.2(5) ?
C2_3 C3_3 C4_3 C8_3 . . . . -170.7(4) ?
K2_4 O2_3 C6_3 O1_3 . . . . -110.1(4) ?
K2_4 O2_3 C6_3 C4_3 . . . . 68.8(5) ?
C7_3 O1_3 C6_3 O2_3 . . . . 11.9(6) ?
C7_3 O1_3 C6_3 C4_3 . . . . -167.1(3) ?
C5_3 C4_3 C6_3 O2_3 . . . . 13.5(6) ?
C3_3 C4_3 C6_3 O2_3 . . . . 132.3(4) ?
C8_3 C4_3 C6_3 O2_3 . . . . -109.0(4) ?
C5_3 C4_3 C6_3 O1_3 . . . . -167.5(3) ?
C3_3 C4_3 C6_3 O1_3 . . . . -48.7(4) ?
C8_3 C4_3 C6_3 O1_3 . . . . 69.9(4) ?
C5_3 C4_3 C8_3 C9_3 . . . . 55.1(4) ?
C6_3 C4_3 C8_3 C9_3 . . . . 176.0(3) ?
C3_3 C4_3 C8_3 C9_3 . . . . -66.0(4) ?
C5_3 C4_3 C8_3 B1_3 . . . . -76.3(5) ?
C6_3 C4_3 C8_3 B1_3 . . . . 44.6(5) ?
C3_3 C4_3 C8_3 B1_3 . . . . 162.6(4) ?
F1_3 B1_3 C8_3 C9_3 . . . . 50.5(5) ?
F2_3 B1_3 C8_3 C9_3 . . . . -70.0(5) ?
F3_3 B1_3 C8_3 C9_3 . . . . 169.3(3) ?
K4_4 B1_3 C8_3 C9_3 1_655 . . . 110.4(3) ?
K1_4 B1_3 C8_3 C9_3 . . . . -0.1(5) ?
K2_4 B1_3 C8_3 C9_3 . . . . -123.8(3) ?
F1_3 B1_3 C8_3 C4_3 . . . . -177.9(3) ?
F2_3 B1_3 C8_3 C4_3 . . . . 61.6(5) ?
F3_3 B1_3 C8_3 C4_3 . . . . -59.1(5) ?
K4_4 B1_3 C8_3 C4_3 1_655 . . . -118.0(3) ?
K1_4 B1_3 C8_3 C4_3 . . . . 131.5(3) ?
K2_4 B1_3 C8_3 C4_3 . . . . 7.8(5) ?
C4_3 C8_3 C9_3 C10_3 . . . . 95.9(4) ?
B1_3 C8_3 C9_3 C10_3 . . . . -130.1(4) ?
C4_3 C8_3 C9_3 C14_3 . . . . -83.8(5) ?
B1_3 C8_3 C9_3 C14_3 . . . . 50.2(5) ?
C14_3 C9_3 C10_3 C11_3 . . . . 1.1(6) ?
C8_3 C9_3 C10_3 C11_3 . . . . -178.7(4) ?
C9_3 C10_3 C11_3 C12_3 . . . . -0.6(8) ?
C10_3 C11_3 C12_3 C13_3 . . . . -0.7(7) ?
C11_3 C12_3 C13_3 C14_3 . . . . 1.3(7) ?
C10_3 C9_3 C14_3 C13_3 . . . . -0.4(6) ?
C8_3 C9_3 C14_3 C13_3 . . . . 179.4(4) ?
C12_3 C13_3 C14_3 C9_3 . . . . -0.7(7) ?
F3_4 B1_4 F1_4 K3_4 . . . . 2.2(4) ?
F2_4 B1_4 F1_4 K3_4 . . . . -110.3(3) ?
C8_4 B1_4 F1_4 K3_4 . . . . 122.8(3) ?
K1_4 B1_4 F1_4 K3_4 1_455 . . . -124.08(17) ?
K2_4 B1_4 F1_4 K3_4 . . . . -44.2(3) ?
F3_4 B1_4 F1_4 K1_4 . . . 1_455 126.3(3) ?
F2_4 B1_4 F1_4 K1_4 . . . 1_455 13.8(3) ?
C8_4 B1_4 F1_4 K1_4 . . . 1_455 -113.2(3) ?
K3_4 B1_4 F1_4 K1_4 . . . 1_455 124.08(17) ?
K2_4 B1_4 F1_4 K1_4 . . . 1_455 79.9(2) ?
F3_4 B1_4 F2_4 K1_4 . . . 1_455 -126.8(3) ?
F1_4 B1_4 F2_4 K1_4 . . . 1_455 -15.3(4) ?
C8_4 B1_4 F2_4 K1_4 . . . 1_455 109.2(3) ?
K3_4 B1_4 F2_4 K1_4 . . . 1_455 -66.6(3) ?
K2_4 B1_4 F2_4 K1_4 . . . 1_455 -128.61(15) ?
F3_4 B1_4 F2_4 K2_4 . . . . 1.8(3) ?
F1_4 B1_4 F2_4 K2_4 . . . . 113.3(3) ?
C8_4 B1_4 F2_4 K2_4 . . . . -122.2(3) ?
K3_4 B1_4 F2_4 K2_4 . . . . 62.0(2) ?
K1_4 B1_4 F2_4 K2_4 1_455 . . . 128.61(15) ?
C1_4 C2_4 C3_4 C4_4 . . . . 118.0(5) ?
F2_4 B1_4 F3_4 K2_4 . . . . -2.3(4) ?
F1_4 B1_4 F3_4 K2_4 . . . . -113.7(3) ?
C8_4 B1_4 F3_4 K2_4 . . . . 124.9(3) ?
K3_4 B1_4 F3_4 K2_4 . . . . -111.65(19) ?
K1_4 B1_4 F3_4 K2_4 1_455 . . . -53.3(4) ?
F2_4 B1_4 F3_4 K3_4 . . . . 109.4(3) ?
F1_4 B1_4 F3_4 K3_4 . . . . -2.0(4) ?
C8_4 B1_4 F3_4 K3_4 . . . . -123.4(3) ?
K1_4 B1_4 F3_4 K3_4 1_455 . . . 58.4(3) ?
K2_4 B1_4 F3_4 K3_4 . . . . 111.65(19) ?
C2_4 C3_4 C4_4 C6_4 . . . . 60.0(5) ?
C2_4 C3_4 C4_4 C5_4 . . . . -58.5(5) ?
C2_4 C3_4 C4_4 C8_4 . . . . 177.6(3) ?
K1_4 O2_4 C6_4 O1_4 1_455 . . . 100.2(4) ?
K1_4 O2_4 C6_4 C4_4 1_455 . . . -78.5(5) ?
C7_4 O1_4 C6_4 O2_4 . . . . -7.3(6) ?
C7_4 O1_4 C6_4 C4_4 . . . . 171.6(4) ?
C5_4 C4_4 C6_4 O2_4 . . . . -17.0(6) ?
C3_4 C4_4 C6_4 O2_4 . . . . -135.9(4) ?
C8_4 C4_4 C6_4 O2_4 . . . . 105.2(5) ?
C5_4 C4_4 C6_4 O1_4 . . . . 164.1(3) ?
C3_4 C4_4 C6_4 O1_4 . . . . 45.3(4) ?
C8_4 C4_4 C6_4 O1_4 . . . . -73.6(4) ?
C6_4 C4_4 C8_4 C9_4 . . . . -171.0(3) ?
C5_4 C4_4 C8_4 C9_4 . . . . -51.6(5) ?
C3_4 C4_4 C8_4 C9_4 . . . . 69.9(4) ?
C6_4 C4_4 C8_4 B1_4 . . . . -39.5(5) ?
C5_4 C4_4 C8_4 B1_4 . . . . 80.0(4) ?
C3_4 C4_4 C8_4 B1_4 . . . . -158.5(3) ?
F3_4 B1_4 C8_4 C9_4 . . . . -56.0(5) ?
F2_4 B1_4 C8_4 C9_4 . . . . 65.9(5) ?
F1_4 B1_4 C8_4 C9_4 . . . . -173.3(3) ?
K3_4 B1_4 C8_4 C9_4 . . . . -119.0(3) ?
K1_4 B1_4 C8_4 C9_4 1_455 . . . 122.4(3) ?
K2_4 B1_4 C8_4 C9_4 . . . . -8.2(5) ?
F3_4 B1_4 C8_4 C4_4 . . . . 173.3(3) ?
F2_4 B1_4 C8_4 C4_4 . . . . -64.8(5) ?
F1_4 B1_4 C8_4 C4_4 . . . . 56.0(5) ?
K3_4 B1_4 C8_4 C4_4 . . . . 110.3(4) ?
K1_4 B1_4 C8_4 C4_4 1_455 . . . -8.3(5) ?
K2_4 B1_4 C8_4 C4_4 . . . . -138.9(3) ?
C4_4 C8_4 C9_4 C14_4 . . . . 87.4(5) ?
B1_4 C8_4 C9_4 C14_4 . . . . -47.2(5) ?
C4_4 C8_4 C9_4 C10_4 . . . . -93.4(4) ?
B1_4 C8_4 C9_4 C10_4 . . . . 132.0(4) ?
C14_4 C9_4 C10_4 C11_4 . . . . -2.3(6) ?
C8_4 C9_4 C10_4 C11_4 . . . . 178.6(4) ?
C14_4 C9_4 C10_4 K1_4 . . . . 85.6(4) ?
C8_4 C9_4 C10_4 K1_4 . . . . -93.5(4) ?
C9_4 C10_4 C11_4 C12_4 . . . . 0.9(7) ?
K1_4 C10_4 C11_4 C12_4 . . . . -104.8(4) ?
C9_4 C10_4 C11_4 K1_4 . . . . 105.7(4) ?
C10_4 C11_4 C12_4 C13_4 . . . . 0.8(7) ?
K1_4 C11_4 C12_4 C13_4 . . . . -85.1(4) ?
C11_4 C12_4 C13_4 C14_4 . . . . -1.2(6) ?
C12_4 C13_4 C14_4 C9_4 . . . . -0.2(6) ?
C10_4 C9_4 C14_4 C13_4 . . . . 1.9(6) ?
C8_4 C9_4 C14_4 C13_4 . . . . -178.9(4) ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C7_3 H7B_3 F3_3 . 0.96 2.61 3.171(5) 117.3 ?
C7_4 H7C_4 F1_4 . 0.96 2.63 3.184(6) 116.9 ?


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: acetonitrile and ethyl ether'
