#------------------------------------------------------------------------------
#$Date: 2017-07-01 07:18:29 +0300 (Sat, 01 Jul 2017) $
#$Revision: 198305 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/57/7155736.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_7155736
loop_
_publ_author_name
'Erker, Gerhard'
'Wang, Tongdao'
'Kohrt, Sonja'
'Daniliuc, Constantin Gabriel'
'Kehr, Gerald'
_publ_section_title
;
 Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and
 Amides with Bis(pentafluorophenyl)borata-alkene Reagents
;
_journal_name_full               'Org. Biomol. Chem.'
_journal_paper_doi               10.1039/C7OB01591G
_journal_year                    2017
_chemical_formula_sum            'C42 H38 B2 F20 Li2 N2 O2'
_chemical_formula_weight         1018.24
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_update_record
;
2017-05-10 deposited with the CCDC.
2017-06-30 downloaded from the CCDC.
;
_cell_angle_alpha                105.3350(10)
_cell_angle_beta                 98.6630(10)
_cell_angle_gamma                106.3030(10)
_cell_formula_units_Z            1
_cell_length_a                   9.8919(3)
_cell_length_b                   11.1034(4)
_cell_length_c                   11.1528(4)
_cell_measurement_reflns_used    8232
_cell_measurement_temperature    101.(2)
_cell_measurement_theta_max      27.4886
_cell_measurement_theta_min      2.4426
_cell_volume                     1099.87(7)
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_collection
;
APEX2 v.2014.1-1 (Bruker AXS Inc., 2014)

;
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_molecular_graphics    'XP (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      101.(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Venture PHOTON 100 CMOS'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  'MX mirror'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_unetI/netI     0.0278
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            18511
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.44
_diffrn_source                   'Mo ImS'
_diffrn_source_type              'micro focus tube'
_exptl_absorpt_coefficient_mu    0.151
_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_correction_T_min  0.96
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Bruker AXS (2014). SADABS, Version 2014/2, Bruker AXS Inc., Madison, Wisconsin,
USA.
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.537
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             516
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.309
_refine_diff_density_min         -0.240
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     324
_refine_ls_number_reflns         4484
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0505
_refine_ls_R_factor_gt           0.0352
_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)+(0.0361P)²+0.5763P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0808
_refine_ls_wR_factor_ref         0.0887
_reflns_number_gt                3589
_reflns_number_total             4484
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7ob01591g2.cif
_cod_data_source_block           erk8042
_cod_database_code               7155736
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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_posn
_atom_site_occupancy
B B1 0.45390(18) 0.52339(17) 0.42697(16) 0.0146(3) Uani d . . 1
C C1 0.19251(17) -0.00089(16) 0.33354(16) 0.0196(3) Uani d . . 1
Li Li1 0.4136(3) 0.2365(3) 0.3312(3) 0.0215(6) Uani d . . 1
N N1 0.24352(15) 0.05776(13) 0.23459(13) 0.0181(3) Uani d . . 1
H H1 0.171(2) 0.0867(18) 0.2091(18) 0.025(5) Uiso d . . 1
O O1 0.44096(11) 0.39517(10) 0.44857(10) 0.0146(2) Uani d . . 1
C C2 0.06366(18) -0.13089(17) 0.27184(17) 0.0254(4) Uani d . . 1
H H2A 0.0404 -0.1715 0.3385 0.03 Uiso calc U R 1
H H2B -0.0224 -0.1111 0.2362 0.03 Uiso calc U R 1
C C3 0.09520(19) -0.22928(17) 0.16549(18) 0.0298(4) Uani d . . 1
H H3A 0.1777 -0.2537 0.201 0.036 Uiso calc U R 1
H H3B 0.0092 -0.3109 0.1271 0.036 Uiso calc U R 1
C C4 0.1320(2) -0.16669(18) 0.06373(18) 0.0313(4) Uani d . . 1
H H4A 0.0448 -0.1518 0.0227 0.038 Uiso calc U R 1
H H4B 0.1566 -0.2298 -0.0032 0.038 Uiso calc U R 1
C C5 0.25883(18) -0.03422(17) 0.11496(16) 0.0232(4) Uani d . . 1
C C6 0.31691(18) -0.02429(16) 0.41368(16) 0.0211(3) Uani d . . 1
H H6A 0.331 -0.1055 0.3651 0.032 Uiso calc U R 1
H H6B 0.2929 -0.0335 0.4936 0.032 Uiso calc U R 1
H H6C 0.4064 0.0511 0.4335 0.032 Uiso calc U R 1
C C7 0.14478(19) 0.10274(17) 0.42045(17) 0.0251(4) Uani d . . 1
H H7A 0.2255 0.1871 0.4558 0.038 Uiso calc U R 1
H H7B 0.116 0.0725 0.4907 0.038 Uiso calc U R 1
H H7C 0.0623 0.1151 0.3706 0.038 Uiso calc U R 1
C C8 0.40472(19) -0.05678(18) 0.14055(17) 0.0275(4) Uani d . . 1
H H8A 0.4825 0.0288 0.1829 0.041 Uiso calc U R 1
H H8B 0.4226 -0.1013 0.0591 0.041 Uiso calc U R 1
H H8C 0.4024 -0.1123 0.196 0.041 Uiso calc U R 1
C C9 0.2574(2) 0.0370(2) 0.01502(17) 0.0348(4) Uani d . . 1
H H9A 0.1684 0.0596 0.0038 0.052 Uiso calc U R 1
H H9B 0.2608 -0.0212 -0.0668 0.052 Uiso calc U R 1
H H9C 0.3421 0.1183 0.044 0.052 Uiso calc U R 1
C C11 0.52266(16) 0.54185(15) 0.30346(14) 0.0155(3) Uani d . . 1
C C12 0.55608(17) 0.44753(15) 0.21563(15) 0.0175(3) Uani d . . 1
F F12 0.51946(11) 0.31918(9) 0.21645(9) 0.0263(2) Uani d . . 1
C C13 0.62544(17) 0.47179(17) 0.12126(15) 0.0202(3) Uani d . . 1
F F13 0.65256(11) 0.37380(10) 0.03828(9) 0.0293(2) Uani d . . 1
C C14 0.66480(16) 0.59688(17) 0.11115(15) 0.0200(3) Uani d . . 1
F F14 0.73078(11) 0.62273(11) 0.01930(9) 0.0302(2) Uani d . . 1
C C15 0.63325(17) 0.69516(16) 0.19475(16) 0.0206(3) Uani d . . 1
F F15 0.67042(11) 0.81821(10) 0.18604(10) 0.0308(2) Uani d . . 1
C C16 0.56247(16) 0.66499(15) 0.28616(15) 0.0172(3) Uani d . . 1
F F16 0.53101(10) 0.76459(9) 0.36362(9) 0.0235(2) Uani d . . 1
C C21 0.29760(16) 0.55097(15) 0.41351(14) 0.0148(3) Uani d . . 1
C C22 0.17334(17) 0.45771(15) 0.32663(15) 0.0184(3) Uani d . . 1
F F22 0.18369(10) 0.34661(9) 0.24615(9) 0.0257(2) Uani d . . 1
C C23 0.03712(17) 0.46945(17) 0.31676(15) 0.0224(4) Uani d . . 1
F F23 -0.08056(11) 0.37454(11) 0.23205(10) 0.0344(3) Uani d . . 1
C C24 0.02081(17) 0.57971(17) 0.39664(16) 0.0209(3) Uani d . . 1
F F24 -0.11093(10) 0.59263(10) 0.38987(10) 0.0300(2) Uani d . . 1
C C25 0.13990(17) 0.67535(16) 0.48516(15) 0.0184(3) Uani d . . 1
F F25 0.12512(10) 0.78230(9) 0.56580(9) 0.0250(2) Uani d . . 1
C C26 0.27413(16) 0.65962(15) 0.49017(14) 0.0161(3) Uani d . . 1
F F26 0.38707(9) 0.76235(9) 0.57904(9) 0.0200(2) Uani d . . 1
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'
Li Li -0.0003 0.0001 '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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O1 B1 O1 . 2_666 94.80(11)
O1 B1 C21 . . 111.71(12)
O1 B1 C21 2_666 . 113.24(12)
O1 B1 C11 . . 114.39(12)
O1 B1 C11 2_666 . 112.05(12)
C21 B1 C11 . . 110.00(12)
O1 B1 B1 . 2_666 47.47(8)
O1 B1 B1 2_666 2_666 47.33(8)
C21 B1 B1 . 2_666 124.38(14)
C11 B1 B1 . 2_666 125.62(15)
N1 C1 C7 . . 105.61(13)
N1 C1 C6 . . 110.73(13)
C7 C1 C6 . . 109.09(14)
N1 C1 C2 . . 111.56(13)
C7 C1 C2 . . 109.63(13)
C6 C1 C2 . . 110.11(13)
O1 Li1 F12 . . 93.74(12)
O1 Li1 F26 . 2_666 90.16(12)
F12 Li1 F26 . 2_666 86.35(11)
O1 Li1 N1 . . 137.77(16)
F12 Li1 N1 . . 114.56(14)
F26 Li1 N1 2_666 . 120.78(14)
C1 N1 C5 . . 117.86(12)
C1 N1 Li1 . . 107.69(12)
C5 N1 Li1 . . 118.51(12)
C1 N1 H1 . . 102.5(12)
C5 N1 H1 . . 106.1(12)
Li1 N1 H1 . . 101.6(12)
B1 O1 B1 . 2_666 85.19(11)
B1 O1 Li1 . . 128.15(13)
B1 O1 Li1 2_666 . 134.49(13)
C3 C2 C1 . . 112.23(14)
C3 C2 H2A . . 109.2
C1 C2 H2A . . 109.2
C3 C2 H2B . . 109.2
C1 C2 H2B . . 109.2
H2A C2 H2B . . 107.9
C4 C3 C2 . . 109.20(15)
C4 C3 H3A . . 109.8
C2 C3 H3A . . 109.8
C4 C3 H3B . . 109.8
C2 C3 H3B . . 109.8
H3A C3 H3B . . 108.3
C3 C4 C5 . . 114.14(14)
C3 C4 H4A . . 108.7
C5 C4 H4A . . 108.7
C3 C4 H4B . . 108.7
C5 C4 H4B . . 108.7
H4A C4 H4B . . 107.6
N1 C5 C9 . . 106.14(14)
N1 C5 C8 . . 110.02(13)
C9 C5 C8 . . 108.66(14)
N1 C5 C4 . . 111.88(13)
C9 C5 C4 . . 108.90(15)
C8 C5 C4 . . 111.06(14)
C1 C6 H6A . . 109.5
C1 C6 H6B . . 109.5
H6A C6 H6B . . 109.5
C1 C6 H6C . . 109.5
H6A C6 H6C . . 109.5
H6B C6 H6C . . 109.5
C1 C7 H7A . . 109.5
C1 C7 H7B . . 109.5
H7A C7 H7B . . 109.5
C1 C7 H7C . . 109.5
H7A C7 H7C . . 109.5
H7B C7 H7C . . 109.5
C5 C8 H8A . . 109.5
C5 C8 H8B . . 109.5
H8A C8 H8B . . 109.5
C5 C8 H8C . . 109.5
H8A C8 H8C . . 109.5
H8B C8 H8C . . 109.5
C5 C9 H9A . . 109.5
C5 C9 H9B . . 109.5
H9A C9 H9B . . 109.5
C5 C9 H9C . . 109.5
H9A C9 H9C . . 109.5
H9B C9 H9C . . 109.5
C12 C11 C16 . . 113.19(14)
C12 C11 B1 . . 126.96(13)
C16 C11 B1 . . 119.69(13)
F12 C12 C11 . . 120.70(13)
F12 C12 C13 . . 114.80(13)
C11 C12 C13 . . 124.49(15)
C12 F12 Li1 . . 129.10(12)
F13 C13 C14 . . 119.86(14)
F13 C13 C12 . . 120.80(15)
C14 C13 C12 . . 119.34(14)
F14 C14 C13 . . 120.53(15)
F14 C14 C15 . . 120.30(15)
C13 C14 C15 . . 119.15(14)
F15 C15 C14 . . 120.03(14)
F15 C15 C16 . . 120.93(15)
C14 C15 C16 . . 119.04(15)
F16 C16 C15 . . 116.47(14)
F16 C16 C11 . . 118.77(13)
C15 C16 C11 . . 124.76(14)
C26 C21 C22 . . 113.90(14)
C26 C21 B1 . . 125.20(13)
C22 C21 B1 . . 120.74(13)
F22 C22 C23 . . 117.10(14)
F22 C22 C21 . . 118.96(13)
C23 C22 C21 . . 123.94(15)
F23 C23 C24 . . 119.20(14)
F23 C23 C22 . . 121.47(15)
C24 C23 C22 . . 119.32(15)
F24 C24 C25 . . 120.13(15)
F24 C24 C23 . . 120.42(15)
C25 C24 C23 . . 119.44(14)
F25 C25 C24 . . 120.12(14)
F25 C25 C26 . . 120.91(14)
C24 C25 C26 . . 118.97(14)
F26 C26 C25 . . 114.63(13)
F26 C26 C21 . . 120.97(13)
C25 C26 C21 . . 124.41(14)
C26 F26 Li1 . 2_666 129.52(11)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
B1 O1 . 1.480(2)
B1 O1 2_666 1.483(2)
B1 C21 . 1.651(2)
B1 C11 . 1.660(2)
B1 B1 2_666 2.005(3)
C1 N1 . 1.503(2)
C1 C7 . 1.530(2)
C1 C6 . 1.534(2)
C1 C2 . 1.536(2)
Li1 O1 . 1.816(3)
Li1 F12 . 2.015(3)
Li1 F26 2_666 2.067(3)
Li1 N1 . 2.093(3)
N1 C5 . 1.508(2)
N1 H1 . 0.90(2)
O1 B1 2_666 1.483(2)
C2 C3 . 1.522(2)
C2 H2A . 0.99
C2 H2B . 0.99
C3 C4 . 1.518(3)
C3 H3A . 0.99
C3 H3B . 0.99
C4 C5 . 1.539(2)
C4 H4A . 0.99
C4 H4B . 0.99
C5 C9 . 1.528(2)
C5 C8 . 1.531(2)
C6 H6A . 0.98
C6 H6B . 0.98
C6 H6C . 0.98
C7 H7A . 0.98
C7 H7B . 0.98
C7 H7C . 0.98
C8 H8A . 0.98
C8 H8B . 0.98
C8 H8C . 0.98
C9 H9A . 0.98
C9 H9B . 0.98
C9 H9C . 0.98
C11 C12 . 1.384(2)
C11 C16 . 1.386(2)
C12 F12 . 1.3713(18)
C12 C13 . 1.384(2)
C13 F13 . 1.3484(18)
C13 C14 . 1.373(2)
C14 F14 . 1.3451(17)
C14 C15 . 1.378(2)
C15 F15 . 1.3454(18)
C15 C16 . 1.380(2)
C16 F16 . 1.3546(17)
C21 C26 . 1.383(2)
C21 C22 . 1.385(2)
C22 F22 . 1.3605(17)
C22 C23 . 1.381(2)
C23 F23 . 1.3460(19)
C23 C24 . 1.377(2)
C24 F24 . 1.3437(18)
C24 C25 . 1.372(2)
C25 F25 . 1.3463(18)
C25 C26 . 1.382(2)
C26 F26 . 1.3729(17)
F26 Li1 2_666 2.067(3)
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
C4 H4B F23 2 0.99 2.50 3.358(2) 145.1
C6 H6B F25 1_545 0.98 2.64 3.4203(19) 137.1
C6 H6C F26 2_666 0.98 2.52 3.4730(19) 164.4
C7 H7C F25 2_566 0.98 2.53 3.2732(19) 132.7
C9 H9C F12 . 0.98 2.50 3.398(2) 151.5
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_4
_geom_torsion
C7 C1 N1 C5 . . -163.58(13)
C6 C1 N1 C5 . . 78.47(17)
C2 C1 N1 C5 . . -44.54(18)
C7 C1 N1 Li1 . . 59.09(15)
C6 C1 N1 Li1 . . -58.86(16)
C2 C1 N1 Li1 . . 178.13(13)
O1 B1 O1 B1 2_666 2_666 0.0010(10)
C21 B1 O1 B1 . 2_666 -117.36(15)
C11 B1 O1 B1 . 2_666 116.86(16)
O1 B1 O1 Li1 2_666 . -145.92(15)
C21 B1 O1 Li1 . . 96.72(17)
C11 B1 O1 Li1 . . -29.1(2)
B1 B1 O1 Li1 2_666 . -145.92(15)
F12 Li1 O1 B1 . . 30.27(19)
F26 Li1 O1 B1 2_666 . 116.62(14)
N1 Li1 O1 B1 . . -103.5(2)
F12 Li1 O1 B1 . 2_666 -98.21(17)
F26 Li1 O1 B1 2_666 2_666 -11.9(2)
N1 Li1 O1 B1 . 2_666 128.0(2)
N1 C1 C2 C3 . . 52.53(19)
C7 C1 C2 C3 . . 169.15(15)
C6 C1 C2 C3 . . -70.84(18)
C1 C2 C3 C4 . . -58.43(19)
C2 C3 C4 C5 . . 56.0(2)
C1 N1 C5 C9 . . 160.15(14)
Li1 N1 C5 C9 . . -67.15(18)
C1 N1 C5 C8 . . -82.47(17)
Li1 N1 C5 C8 . . 50.23(19)
C1 N1 C5 C4 . . 41.49(19)
Li1 N1 C5 C4 . . 174.19(14)
C3 C4 C5 N1 . . -47.0(2)
C3 C4 C5 C9 . . -164.02(15)
C3 C4 C5 C8 . . 76.35(19)
O1 B1 C11 C12 . . 5.8(2)
O1 B1 C11 C12 2_666 . 112.22(17)
C21 B1 C11 C12 . . -120.88(16)
B1 B1 C11 C12 2_666 . 59.8(2)
O1 B1 C11 C16 . . -169.36(13)
O1 B1 C11 C16 2_666 . -62.93(18)
C21 B1 C11 C16 . . 63.97(18)
B1 B1 C11 C16 2_666 . -115.39(19)
C16 C11 C12 F12 . . -177.73(13)
B1 C11 C12 F12 . . 6.8(2)
C16 C11 C12 C13 . . 1.6(2)
B1 C11 C12 C13 . . -173.85(15)
C11 C12 F12 Li1 . . 1.2(2)
C13 C12 F12 Li1 . . -178.15(14)
F12 C12 C13 F13 . . 0.1(2)
C11 C12 C13 F13 . . -179.21(14)
F12 C12 C13 C14 . . 179.08(14)
C11 C12 C13 C14 . . -0.3(2)
F13 C13 C14 F14 . . -0.2(2)
C12 C13 C14 F14 . . -179.20(14)
F13 C13 C14 C15 . . 178.47(14)
C12 C13 C14 C15 . . -0.5(2)
F14 C14 C15 F15 . . -1.0(2)
C13 C14 C15 F15 . . -179.74(14)
F14 C14 C15 C16 . . 178.51(14)
C13 C14 C15 C16 . . -0.2(2)
F15 C15 C16 F16 . . 1.1(2)
C14 C15 C16 F16 . . -178.39(14)
F15 C15 C16 C11 . . -178.73(14)
C14 C15 C16 C11 . . 1.7(2)
C12 C11 C16 F16 . . 177.81(13)
B1 C11 C16 F16 . . -6.4(2)
C12 C11 C16 C15 . . -2.3(2)
B1 C11 C16 C15 . . 173.46(14)
O1 B1 C21 C26 . . 122.09(15)
O1 B1 C21 C26 2_666 . 16.5(2)
C11 B1 C21 C26 . . -109.75(16)
B1 B1 C21 C26 2_666 . 69.6(2)
O1 B1 C21 C22 . . -53.03(19)
O1 B1 C21 C22 2_666 . -158.64(14)
C11 B1 C21 C22 . . 75.13(17)
B1 B1 C21 C22 2_666 . -105.5(2)
C26 C21 C22 F22 . . 179.95(13)
B1 C21 C22 F22 . . -4.4(2)
C26 C21 C22 C23 . . -0.7(2)
B1 C21 C22 C23 . . 174.96(15)
F22 C22 C23 F23 . . 0.6(2)
C21 C22 C23 F23 . . -178.77(15)
F22 C22 C23 C24 . . 179.61(14)
C21 C22 C23 C24 . . 0.2(3)
F23 C23 C24 F24 . . -0.2(2)
C22 C23 C24 F24 . . -179.22(14)
F23 C23 C24 C25 . . 178.54(14)
C22 C23 C24 C25 . . -0.5(2)
F24 C24 C25 F25 . . 0.2(2)
C23 C24 C25 F25 . . -178.54(14)
F24 C24 C25 C26 . . 179.96(14)
C23 C24 C25 C26 . . 1.2(2)
F25 C25 C26 F26 . . -2.2(2)
C24 C25 C26 F26 . . 178.07(14)
F25 C25 C26 C21 . . 177.95(14)
C24 C25 C26 C21 . . -1.8(2)
C22 C21 C26 F26 . . -178.40(13)
B1 C21 C26 F26 . . 6.2(2)
C22 C21 C26 C25 . . 1.5(2)
B1 C21 C26 C25 . . -173.92(14)
C25 C26 F26 Li1 . 2_666 156.34(14)
C21 C26 F26 Li1 . 2_666 -23.8(2)
