#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/95/1519544.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_1519544
loop_
_publ_author_name
'Butts, Craig'
'Coles, Simon J.'
'Hursthouse, Michael B.'
_publ_section_title
;
 C27H47BF4N2
;
_journal_name_full               'Crystal Structure Report Archive'
_journal_page_first              956
_journal_year                    2003
_chemical_formula_moiety         'C27 H47 N2, B F4'
_chemical_formula_sum            'C27 H47 B F4 N2'
_chemical_formula_weight         486.48
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                94.5935(11)
_cell_angle_beta                 98.3266(12)
_cell_angle_gamma                115.0261(12)
_cell_formula_units_Z            2
_cell_length_a                   9.2775(2)
_cell_length_b                   9.7893(2)
_cell_length_c                   17.4185(5)
_cell_measurement_reflns_used    27252
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     1400.58(6)
_computing_cell_refinement       'DENZO and COLLECT'
_computing_data_collection
;
'DENZO (Otwinowski and Minor, 1997) & COLLECT (Hooft, 1998) '
;
_computing_data_reduction        'DENZO and COLLECT'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Enraf Nonius KappaCCD area detector'
_diffrn_measurement_method       'ω and φ scans to fill Ewald sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enraf Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0651
_diffrn_reflns_av_sigmaI/netI    0.0354
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            35037
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.95
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_T_max  0.9916
_exptl_absorpt_correction_T_min  0.9606
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SORTAV (Blessing, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.154
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blade
_exptl_crystal_F_000             528
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.292
_refine_diff_density_min         -0.218
_refine_diff_density_rms         0.038
_refine_ls_extinction_coef       0.022(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         6399
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0389
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0536P)²+0.2999P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1010
_refine_ls_wR_factor_ref         0.1090
_reflns_number_gt                5206
_reflns_number_total             6399
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            eCrystal-956.cif
_cod_data_source_block           butts
_cod_depositor_comments
;
Citation :
Butts, Craig and Coles, Simon J. and Hursthouse, Michael B. (2003) 
University of Southampton, Crystal Structure Report Archive. 
(doi:10.5258/ecrystals/956)

More at:
http://ecrystals.chem.soton.ac.uk/956/

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 
;
_cod_original_cell_volume        1400.61(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1519544
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
C1 C 0.49865(12) 0.06718(11) 0.09828(6) 0.0177(2) Uani 1 1 d . . .
C2 C 0.34462(13) 0.05617(12) 0.09842(6) 0.0218(2) Uani 1 1 d . . .
H2 H 0.3218 0.1417 0.0957 0.026 Uiso 1 1 calc R . .
C3 C 0.22661(13) -0.08647(13) 0.10279(6) 0.0251(2) Uani 1 1 d . . .
H3 H 0.1191 -0.0995 0.1025 0.030 Uiso 1 1 calc R . .
C4 C 0.25991(13) -0.21293(12) 0.10762(6) 0.0245(2) Uani 1 1 d . . .
H4 H 0.1745 -0.3090 0.1104 0.029 Uiso 1 1 calc R . .
C5 C 0.41393(13) -0.20133(12) 0.10840(6) 0.0209(2) Uani 1 1 d . . .
H5 H 0.4371 -0.2865 0.1121 0.025 Uiso 1 1 calc R . .
C6 C 0.53261(12) -0.05822(11) 0.10348(5) 0.0170(2) Uani 1 1 d . . .
C7 C 0.75610(12) 0.14085(12) 0.09308(6) 0.0195(2) Uani 1 1 d . . .
H7 H 0.8652 0.2026 0.0893 0.023 Uiso 1 1 calc R . .
C8 C 0.66458(13) 0.34615(11) 0.08674(6) 0.0224(2) Uani 1 1 d . . .
H8A H 0.5690 0.3428 0.0515 0.027 Uiso 1 1 calc R . .
H8B H 0.7612 0.4002 0.0638 0.027 Uiso 1 1 calc R . .
C9 C 0.68621(13) 0.43355(12) 0.16711(6) 0.0233(2) Uani 1 1 d . . .
H9A H 0.5986 0.3707 0.1935 0.028 Uiso 1 1 calc R . .
H9B H 0.6752 0.5283 0.1601 0.028 Uiso 1 1 calc R . .
C10 C 0.84939(13) 0.47520(13) 0.21981(6) 0.0248(2) Uani 1 1 d . . .
H10A H 0.8644 0.3814 0.2233 0.030 Uiso 1 1 calc R . .
H10B H 0.9368 0.5450 0.1956 0.030 Uiso 1 1 calc R . .
C11 C 0.86525(13) 0.55118(13) 0.30223(6) 0.0242(2) Uani 1 1 d . . .
H11A H 0.8416 0.6403 0.2985 0.029 Uiso 1 1 calc R . .
H11B H 0.7834 0.4782 0.3280 0.029 Uiso 1 1 calc R . .
C12 C 1.03276(13) 0.60401(13) 0.35291(6) 0.0259(2) Uani 1 1 d . . .
H12A H 1.1140 0.6798 0.3280 0.031 Uiso 1 1 calc R . .
H12B H 1.0581 0.5156 0.3547 0.031 Uiso 1 1 calc R . .
C13 C 1.04858(13) 0.67489(13) 0.43652(6) 0.0244(2) Uani 1 1 d . . .
H13A H 0.9701 0.5980 0.4622 0.029 Uiso 1 1 calc R . .
H13B H 1.0199 0.7613 0.4348 0.029 Uiso 1 1 calc R . .
C14 C 1.21823(13) 0.73203(13) 0.48589(6) 0.0258(2) Uani 1 1 d . . .
H14A H 1.2470 0.6456 0.4872 0.031 Uiso 1 1 calc R . .
H14B H 1.2964 0.8091 0.4602 0.031 Uiso 1 1 calc R . .
C15 C 1.23602(13) 0.80241(13) 0.56975(6) 0.0249(2) Uani 1 1 d . . .
H15A H 1.2047 0.8873 0.5686 0.030 Uiso 1 1 calc R . .
H15B H 1.1603 0.7246 0.5960 0.030 Uiso 1 1 calc R . .
C16 C 1.40709(14) 0.86272(15) 0.61760(7) 0.0303(3) Uani 1 1 d . . .
H16A H 1.4391 0.7782 0.6182 0.036 Uiso 1 1 calc R . .
H16B H 1.4827 0.9416 0.5918 0.036 Uiso 1 1 calc R . .
C17 C 1.42365(17) 0.93098(16) 0.70163(7) 0.0373(3) Uani 1 1 d . . .
H17A H 1.3918 1.0145 0.7015 0.056 Uiso 1 1 calc R . .
H17B H 1.5366 0.9704 0.7292 0.056 Uiso 1 1 calc R . .
H17C H 1.3532 0.8521 0.7284 0.056 Uiso 1 1 calc R . .
C18 C 0.78724(13) -0.09780(12) 0.10312(6) 0.0215(2) Uani 1 1 d . . .
H18A H 0.8810 -0.0508 0.0772 0.026 Uiso 1 1 calc R . .
H18B H 0.7164 -0.2015 0.0736 0.026 Uiso 1 1 calc R . .
C19 C 0.84815(12) -0.11014(12) 0.18717(6) 0.0215(2) Uani 1 1 d . . .
H19A H 0.7543 -0.1526 0.2134 0.026 Uiso 1 1 calc R . .
H19B H 0.8961 -0.1832 0.1856 0.026 Uiso 1 1 calc R . .
C20 C 0.97367(13) 0.04032(12) 0.23633(6) 0.0231(2) Uani 1 1 d . . .
H20A H 0.9249 0.1125 0.2403 0.028 Uiso 1 1 calc R . .
H20B H 1.0665 0.0851 0.2096 0.028 Uiso 1 1 calc R . .
C21 C 1.03514(13) 0.02057(12) 0.31877(6) 0.0249(2) Uani 1 1 d . . .
H21A H 0.9415 -0.0258 0.3448 0.030 Uiso 1 1 calc R . .
H21B H 1.0841 -0.0513 0.3144 0.030 Uiso 1 1 calc R . .
C22 C 1.15962(13) 0.16856(13) 0.37011(6) 0.0250(2) Uani 1 1 d . . .
H22A H 1.1126 0.2423 0.3726 0.030 Uiso 1 1 calc R . .
H22B H 1.2557 0.2125 0.3455 0.030 Uiso 1 1 calc R . .
C23 C 1.21391(13) 0.14773(13) 0.45356(6) 0.0251(2) Uani 1 1 d . . .
H23A H 1.1179 0.1052 0.4783 0.030 Uiso 1 1 calc R . .
H23B H 1.2590 0.0725 0.4509 0.030 Uiso 1 1 calc R . .
C24 C 1.34035(13) 0.29441(12) 0.50513(6) 0.0242(2) Uani 1 1 d . . .
H24A H 1.2951 0.3695 0.5078 0.029 Uiso 1 1 calc R . .
H24B H 1.4362 0.3371 0.4802 0.029 Uiso 1 1 calc R . .
C25 C 1.39528(14) 0.27420(13) 0.58839(6) 0.0257(2) Uani 1 1 d . . .
H25A H 1.3001 0.2344 0.6140 0.031 Uiso 1 1 calc R . .
H25B H 1.4380 0.1972 0.5858 0.031 Uiso 1 1 calc R . .
C26 C 1.52494(14) 0.42089(13) 0.63859(7) 0.0276(2) Uani 1 1 d . . .
H26A H 1.4826 0.4983 0.6407 0.033 Uiso 1 1 calc R . .
H26B H 1.6205 0.4601 0.6133 0.033 Uiso 1 1 calc R . .
C27 C 1.57869(16) 0.40123(16) 0.72207(7) 0.0380(3) Uani 1 1 d . . .
H27A H 1.4858 0.3669 0.7484 0.057 Uiso 1 1 calc R . .
H27B H 1.6637 0.4990 0.7510 0.057 Uiso 1 1 calc R . .
H27C H 1.6212 0.3251 0.7206 0.057 Uiso 1 1 calc R . .
B1 B 0.16466(15) 0.34521(14) 0.04562(8) 0.0238(3) Uani 1 1 d . . .
N1 N 0.64217(10) 0.18927(9) 0.09197(5) 0.01846(19) Uani 1 1 d . . .
N2 N 0.69632(10) -0.00605(10) 0.10018(5) 0.01803(18) Uani 1 1 d . . .
F1 F 0.09623(8) 0.19187(7) 0.05619(4) 0.02882(17) Uani 1 1 d . . .
F2 F 0.33016(8) 0.41173(9) 0.07414(5) 0.0418(2) Uani 1 1 d . . .
F3 F 0.13476(9) 0.35176(8) -0.03402(4) 0.03459(18) Uani 1 1 d . . .
F4 F 0.09146(9) 0.41847(8) 0.08539(5) 0.0417(2) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
C2 C1 N1 131.33(9) . .
C2 C1 C6 121.96(9) . .
N1 C1 C6 106.69(8) . .
C3 C2 C1 115.98(9) . .
C3 C2 H2 122.0 . .
C1 C2 H2 122.0 . .
C2 C3 C4 122.27(10) . .
C2 C3 H3 118.9 . .
C4 C3 H3 118.9 . .
C5 C4 C3 121.65(10) . .
C5 C4 H4 119.2 . .
C3 C4 H4 119.2 . .
C4 C5 C6 116.19(9) . .
C4 C5 H5 121.9 . .
C6 C5 H5 121.9 . .
C5 C6 N2 131.94(9) . .
C5 C6 C1 121.93(9) . .
N2 C6 C1 106.10(8) . .
N1 C7 N2 110.56(9) . .
N1 C7 H7 124.7 . .
N2 C7 H7 124.7 . .
N1 C8 C9 111.40(8) . .
N1 C8 H8A 109.3 . .
C9 C8 H8A 109.3 . .
N1 C8 H8B 109.3 . .
C9 C8 H8B 109.3 . .
H8A C8 H8B 108.0 . .
C8 C9 C10 113.23(9) . .
C8 C9 H9A 108.9 . .
C10 C9 H9A 108.9 . .
C8 C9 H9B 108.9 . .
C10 C9 H9B 108.9 . .
H9A C9 H9B 107.7 . .
C11 C10 C9 113.06(9) . .
C11 C10 H10A 109.0 . .
C9 C10 H10A 109.0 . .
C11 C10 H10B 109.0 . .
C9 C10 H10B 109.0 . .
H10A C10 H10B 107.8 . .
C12 C11 C10 113.07(9) . .
C12 C11 H11A 109.0 . .
C10 C11 H11A 109.0 . .
C12 C11 H11B 109.0 . .
C10 C11 H11B 109.0 . .
H11A C11 H11B 107.8 . .
C11 C12 C13 113.67(9) . .
C11 C12 H12A 108.8 . .
C13 C12 H12A 108.8 . .
C11 C12 H12B 108.8 . .
C13 C12 H12B 108.8 . .
H12A C12 H12B 107.7 . .
C12 C13 C14 113.19(9) . .
C12 C13 H13A 108.9 . .
C14 C13 H13A 108.9 . .
C12 C13 H13B 108.9 . .
C14 C13 H13B 108.9 . .
H13A C13 H13B 107.8 . .
C15 C14 C13 113.91(9) . .
C15 C14 H14A 108.8 . .
C13 C14 H14A 108.8 . .
C15 C14 H14B 108.8 . .
C13 C14 H14B 108.8 . .
H14A C14 H14B 107.7 . .
C16 C15 C14 113.26(9) . .
C16 C15 H15A 108.9 . .
C14 C15 H15A 108.9 . .
C16 C15 H15B 108.9 . .
C14 C15 H15B 108.9 . .
H15A C15 H15B 107.7 . .
C17 C16 C15 113.04(10) . .
C17 C16 H16A 109.0 . .
C15 C16 H16A 109.0 . .
C17 C16 H16B 109.0 . .
C15 C16 H16B 109.0 . .
H16A C16 H16B 107.8 . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
N2 C18 C19 112.05(8) . .
N2 C18 H18A 109.2 . .
C19 C18 H18A 109.2 . .
N2 C18 H18B 109.2 . .
C19 C18 H18B 109.2 . .
H18A C18 H18B 107.9 . .
C20 C19 C18 114.44(9) . .
C20 C19 H19A 108.7 . .
C18 C19 H19A 108.7 . .
C20 C19 H19B 108.7 . .
C18 C19 H19B 108.7 . .
H19A C19 H19B 107.6 . .
C19 C20 C21 112.28(9) . .
C19 C20 H20A 109.1 . .
C21 C20 H20A 109.1 . .
C19 C20 H20B 109.1 . .
C21 C20 H20B 109.1 . .
H20A C20 H20B 107.9 . .
C22 C21 C20 113.95(9) . .
C22 C21 H21A 108.8 . .
C20 C21 H21A 108.8 . .
C22 C21 H21B 108.8 . .
C20 C21 H21B 108.8 . .
H21A C21 H21B 107.7 . .
C21 C22 C23 113.22(9) . .
C21 C22 H22A 108.9 . .
C23 C22 H22A 108.9 . .
C21 C22 H22B 108.9 . .
C23 C22 H22B 108.9 . .
H22A C22 H22B 107.7 . .
C24 C23 C22 113.75(9) . .
C24 C23 H23A 108.8 . .
C22 C23 H23A 108.8 . .
C24 C23 H23B 108.8 . .
C22 C23 H23B 108.8 . .
H23A C23 H23B 107.7 . .
C23 C24 C25 113.96(9) . .
C23 C24 H24A 108.8 . .
C25 C24 H24A 108.8 . .
C23 C24 H24B 108.8 . .
C25 C24 H24B 108.8 . .
H24A C24 H24B 107.7 . .
C26 C25 C24 113.38(9) . .
C26 C25 H25A 108.9 . .
C24 C25 H25A 108.9 . .
C26 C25 H25B 108.9 . .
C24 C25 H25B 108.9 . .
H25A C25 H25B 107.7 . .
C25 C26 C27 113.45(10) . .
C25 C26 H26A 108.9 . .
C27 C26 H26A 108.9 . .
C25 C26 H26B 108.9 . .
C27 C26 H26B 108.9 . .
H26A C26 H26B 107.7 . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
F2 B1 F3 109.52(10) . .
F2 B1 F4 110.78(10) . .
F3 B1 F4 109.96(9) . .
F2 B1 F1 109.81(9) . .
F3 B1 F1 108.69(9) . .
F4 B1 F1 108.05(9) . .
C7 N1 C1 108.28(8) . .
C7 N1 C8 125.95(9) . .
C1 N1 C8 125.76(9) . .
C7 N2 C6 108.37(8) . .
C7 N2 C18 125.62(9) . .
C6 N2 C18 126.00(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.3873(14) .
C1 N1 1.3895(13) .
C1 C6 1.3968(14) .
C2 C3 1.3792(16) .
C2 H2 0.9500 .
C3 C4 1.4028(16) .
C3 H3 0.9500 .
C4 C5 1.3827(15) .
C4 H4 0.9500 .
C5 C6 1.3870(14) .
C5 H5 0.9500 .
C6 N2 1.3945(13) .
C7 N1 1.3273(13) .
C7 N2 1.3284(13) .
C7 H7 0.9500 .
C8 N1 1.4723(12) .
C8 C9 1.5211(15) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.5219(15) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.5202(15) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.5203(15) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C13 1.5211(15) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C14 1.5218(15) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.5194(15) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.5190(16) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C17 1.5178(17) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 N2 1.4686(13) .
C18 C19 1.5244(14) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.5222(15) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C21 1.5248(14) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C22 1.5199(16) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.5265(15) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.5192(16) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C25 1.5230(15) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.5187(16) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 C27 1.5219(16) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
B1 F2 1.3819(14) .
B1 F3 1.3868(15) .
B1 F4 1.3871(14) .
B1 F1 1.4008(13) .
