# Supplementary Material (ESI) for ChemComm
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 182/1806

data_global

_publ_contact_author_name	'Dr. Andres E. Goeta'
_publ_contact_author_address
;     Department of Chemistry
      Durham University
      Durham DH1 3LE
      UK
;
_publ_contact_author_phone        '+44 191 3744702'
_publ_contact_author_fax          '+44 191 3844737'
_publ_contact_author_email        A.E.Goeta@durham.ac.uk

loop_
 _publ_author_name
	'Burke, Jacquelyn'
	'Fox, Mark F.'
	'Goeta, Andres E.'
	'Hughes, Andrew K.'
	'Marder, Todd'
_publ_requested_journal           'Chemical Communications'
_publ_section_title
;
Why are B~2~O~2~ rings rare?
;


_publ_section_references
;
Bruker (1998a). SMART-NT V5.0. Data Collection Software. Bruker Analytical
X-ray Instruments Inc., Madison, Wisconsin, USA.

Bruker (1998b). SAINT-NT V5.0. Data Reduction Software. Bruker Analytical
X-ray Instruments Inc., Madison, Wisconsin, USA.

Bruker (1998c). SHELXTL-NT. Version 5.1. Bruker Analytical X-ray
Instruments Inc., Madison, Wisconsin, USA.

Sheldrick, G.M. (1990) Acta Cryst. A46, 467-473

Sheldrick, G.M. (1997) SHELXL-97. Program for the Refinement of Crystal
Structures. University of G\"ottingen, Germany.

;

#=====================================================
 
data_2 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C18 H16 B2 F5 O P' 
_chemical_formula_weight          395.90 
 
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' 
 'P'  'P'   0.1023   0.0942 
 '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' 
 
_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    'P2(1)/n' 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x-1/2, -y-1/2, z-1/2' 
 
_cell_length_a                    11.638(3) 
_cell_length_b                    12.174(3) 
_cell_length_c                    13.542(3) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  93.688(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      1914.6(8) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     150(2) 
_cell_measurement_reflns_used     617 
_cell_measurement_theta_min       13.80 
_cell_measurement_theta_max       21.10  
 
_exptl_crystal_description        'irregular' 
_exptl_crystal_colour             colourless 
_exptl_crystal_size_max           0.34 
_exptl_crystal_size_mid           0.22 
_exptl_crystal_size_min           0.18 
_exptl_crystal_density_meas       'not measured' 
_exptl_crystal_density_diffrn     1.373 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              808 
_exptl_absorpt_coefficient_mu     0.194 
_exptl_absorpt_correction_type    none 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       150(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Bruker SMART-CCD' 
_diffrn_measurement_method        \w 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          0 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         0 
_diffrn_reflns_number             22662 
_diffrn_reflns_av_R_equivalents   0.0390 
_diffrn_reflns_av_sigmaI/netI     0.0340 
_diffrn_reflns_limit_h_min        -16 
_diffrn_reflns_limit_h_max        16 
_diffrn_reflns_limit_k_min        -17 
_diffrn_reflns_limit_k_max        17 
_diffrn_reflns_limit_l_min        -18 
_diffrn_reflns_limit_l_max        18 
_diffrn_reflns_theta_min          2.24 
_diffrn_reflns_theta_max          30.49 
_reflns_number_total              5437 
_reflns_number_gt                 3923 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'SMART-NT V5.0 (Bruker, 1998a)' 
_computing_cell_refinement        'SMART-NT V5.0 (Bruker, 1998a)'
_computing_data_reduction         'SAINT-NT V5.0 (Bruker, 1998b)'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'SHELXTL-NT V5.1 (Bruker, 1998c)'
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[\s^2^(Fo^2^)+(0.0553P)^2^+1.0293P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          5437 
_refine_ls_number_parameters      248 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0763 
_refine_ls_R_factor_gt            0.0482 
_refine_ls_wR_factor_ref          0.1287 
_refine_ls_wR_factor_gt           0.1137 
_refine_ls_goodness_of_fit_ref    1.032 
_refine_ls_restrained_S_all       1.032 
_refine_ls_shift/su_max           0.000 
_refine_ls_shift/su_mean          0.000 
 
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 
H1P H 0.6516(18) 0.8099(18) 0.0665(16) 0.039(6) Uiso 1 1 d . . . 
P1 P 0.69273(4) 0.73942(3) 0.12437(3) 0.02519(12) Uani 1 1 d . . . 
C1 C 0.61611(15) 0.74317(14) 0.23419(13) 0.0274(4) Uani 1 1 d . . . 
C2 C 0.50334(19) 0.7800(2) 0.22721(16) 0.0487(6) Uani 1 1 d . . . 
H2 H 0.4705 0.8067 0.1675 0.058 Uiso 1 1 calc R . . 
C3 C 0.4402(2) 0.7765(3) 0.3101(2) 0.0741(10) Uani 1 1 d . . . 
H3 H 0.3638 0.7993 0.3060 0.089 Uiso 1 1 calc R . . 
C4 C 0.4904(2) 0.7392(2) 0.39947(18) 0.0606(8) Uani 1 1 d . . . 
H4 H 0.4474 0.7377 0.4550 0.073 Uiso 1 1 calc R . . 
C5 C 0.6027(2) 0.70452(19) 0.40675(15) 0.0443(5) Uani 1 1 d . . . 
H5 H 0.6361 0.6806 0.4672 0.053 Uiso 1 1 calc R . . 
C6 C 0.66643(18) 0.70524(17) 0.32367(14) 0.0361(4) Uani 1 1 d . . . 
H6 H 0.7422 0.6805 0.3278 0.043 Uiso 1 1 calc R . . 
C7 C 0.67759(16) 0.60791(14) 0.06548(14) 0.0301(4) Uani 1 1 d . . . 
C8 C 0.6349(2) 0.51840(16) 0.11493(16) 0.0418(5) Uani 1 1 d . . . 
H8 H 0.6104 0.5267 0.1785 0.050 Uiso 1 1 calc R . . 
C9 C 0.6288(2) 0.41654(18) 0.06916(18) 0.0508(6) Uani 1 1 d . . . 
H9 H 0.6006 0.3563 0.1022 0.061 Uiso 1 1 calc R . . 
C10 C 0.6645(2) 0.40442(18) -0.02478(19) 0.0513(6) Uani 1 1 d . . . 
H10 H 0.6618 0.3355 -0.0545 0.062 Uiso 1 1 calc R . . 
C11 C 0.7045(2) 0.4939(2) -0.07586(19) 0.0560(7) Uani 1 1 d . . . 
H11 H 0.7271 0.4854 -0.1400 0.067 Uiso 1 1 calc R . . 
C12 C 0.7107(2) 0.59653(18) -0.03068(17) 0.0471(5) Uani 1 1 d . . . 
H12 H 0.7367 0.6571 -0.0646 0.057 Uiso 1 1 calc R . . 
C13 C 0.84179(15) 0.77208(14) 0.14759(13) 0.0274(4) Uani 1 1 d . . . 
C14 C 0.87832(16) 0.88052(15) 0.13719(14) 0.0323(4) Uani 1 1 d . . . 
H14 H 0.8258 0.9352 0.1179 0.039 Uiso 1 1 calc R . . 
C15 C 0.99403(18) 0.90569(19) 0.15597(16) 0.0411(5) Uani 1 1 d . . . 
H15 H 1.0194 0.9774 0.1480 0.049 Uiso 1 1 calc R . . 
C16 C 1.07124(18) 0.8250(2) 0.18624(16) 0.0453(5) Uani 1 1 d . . . 
H16 H 1.1484 0.8429 0.1996 0.054 Uiso 1 1 calc R . . 
C17 C 1.03524(19) 0.7176(2) 0.19696(17) 0.0491(6) Uani 1 1 d . . . 
H17 H 1.0882 0.6637 0.2174 0.059 Uiso 1 1 calc R . . 
C18 C 0.92044(18) 0.69015(18) 0.17722(16) 0.0398(5) Uani 1 1 d . . . 
H18 H 0.8961 0.6179 0.1837 0.048 Uiso 1 1 calc R . . 
F1 F 1.20413(12) 0.63868(11) 0.40271(10) 0.0513(3) Uani 1 1 d . . . 
F2 F 1.15747(12) 0.49332(10) 0.30539(9) 0.0467(3) Uani 1 1 d . . . 
F3 F 1.26426(12) 0.46864(15) 0.44982(11) 0.0675(5) Uani 1 1 d . . . 
B1 B 1.17819(19) 0.52808(19) 0.40129(16) 0.0332(5) Uani 1 1 d . . . 
O1 O 1.07138(11) 0.51062(10) 0.45721(9) 0.0303(3) Uani 1 1 d . . . 
B2 B 0.95042(17) 0.55344(16) 0.45080(15) 0.0263(4) Uani 1 1 d . . . 
F4 F 0.94367(11) 0.66415(8) 0.46373(9) 0.0410(3) Uani 1 1 d . . . 
F5 F 0.88552(10) 0.51894(9) 0.36939(8) 0.0355(3) Uani 1 1 d . . . 
 
loop_ 
 _atom_site_aniso_label 
 _atom_site_aniso_U_11 
 _atom_site_aniso_U_22 
 _atom_site_aniso_U_33 
 _atom_site_aniso_U_23 
 _atom_site_aniso_U_13 
 _atom_site_aniso_U_12 
P1 0.0276(2) 0.0248(2) 0.0238(2) 0.00392(16) 0.00683(16) 0.00048(17) 
C1 0.0300(9) 0.0272(8) 0.0259(8) 0.0047(6) 0.0088(7) 0.0024(7) 
C2 0.0363(11) 0.0763(16) 0.0349(11) 0.0227(11) 0.0124(9) 0.0204(11) 
C3 0.0457(14) 0.130(3) 0.0492(15) 0.0374(16) 0.0244(12) 0.0423(16) 
C4 0.0593(15) 0.0864(19) 0.0393(12) 0.0253(12) 0.0274(11) 0.0278(13) 
C5 0.0515(13) 0.0547(13) 0.0274(10) 0.0134(9) 0.0086(9) 0.0144(10) 
C6 0.0342(10) 0.0456(11) 0.0289(9) 0.0059(8) 0.0058(8) 0.0091(8) 
C7 0.0309(9) 0.0286(8) 0.0314(9) 0.0006(7) 0.0067(7) -0.0018(7) 
C8 0.0574(14) 0.0312(10) 0.0381(11) 0.0051(8) 0.0119(10) -0.0036(9) 
C9 0.0698(16) 0.0289(10) 0.0546(14) 0.0033(9) 0.0101(12) -0.0078(10) 
C10 0.0614(15) 0.0338(11) 0.0591(15) -0.0123(10) 0.0085(12) -0.0049(10) 
C11 0.0762(18) 0.0465(13) 0.0482(14) -0.0149(10) 0.0248(13) -0.0114(12) 
C12 0.0637(15) 0.0394(11) 0.0409(12) -0.0048(9) 0.0246(11) -0.0135(10) 
C13 0.0272(8) 0.0327(9) 0.0230(8) 0.0019(6) 0.0076(7) 0.0001(7) 
C14 0.0326(10) 0.0326(9) 0.0324(10) -0.0035(7) 0.0072(8) 0.0005(7) 
C15 0.0380(11) 0.0462(11) 0.0397(11) -0.0055(9) 0.0068(9) -0.0099(9) 
C16 0.0286(10) 0.0712(16) 0.0362(11) 0.0038(10) 0.0039(9) -0.0055(10) 
C17 0.0356(11) 0.0674(15) 0.0442(12) 0.0210(11) 0.0026(9) 0.0107(10) 
C18 0.0365(11) 0.0425(11) 0.0412(11) 0.0164(9) 0.0073(9) 0.0040(8) 
F1 0.0531(8) 0.0496(7) 0.0536(8) -0.0150(6) 0.0226(6) -0.0199(6) 
F2 0.0619(8) 0.0487(7) 0.0309(6) -0.0109(5) 0.0130(6) -0.0080(6) 
F3 0.0418(8) 0.1087(13) 0.0536(9) 0.0283(8) 0.0165(7) 0.0355(8) 
B1 0.0323(11) 0.0412(11) 0.0268(10) 0.0017(8) 0.0078(8) 0.0063(9) 
O1 0.0273(6) 0.0351(7) 0.0290(7) 0.0096(5) 0.0054(5) 0.0070(5) 
B2 0.0288(10) 0.0248(9) 0.0253(9) 0.0045(7) 0.0022(8) 0.0060(7) 
F4 0.0506(7) 0.0226(5) 0.0493(7) 0.0033(5) -0.0006(6) 0.0077(5) 
F5 0.0351(6) 0.0420(6) 0.0286(6) 0.0010(4) -0.0038(5) 0.0039(5) 
 
_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_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
P1 C1 1.7832(17) . ? 
P1 C13 1.7877(19) . ? 
P1 C7 1.7922(19) . ? 
P1 H1P 1.24(2) . ? 
C1 C2 1.384(3) . ? 
C1 C6 1.390(3) . ? 
C2 C3 1.381(3) . ? 
C2 H2 0.9300 . ? 
C3 C4 1.385(4) . ? 
C3 H3 0.9300 . ? 
C4 C5 1.372(3) . ? 
C4 H4 0.9300 . ? 
C5 C6 1.387(3) . ? 
C5 H5 0.9300 . ? 
C6 H6 0.9300 . ? 
C7 C8 1.388(3) . ? 
C7 C12 1.388(3) . ? 
C8 C9 1.386(3) . ? 
C8 H8 0.9300 . ? 
C9 C10 1.371(3) . ? 
C9 H9 0.9300 . ? 
C10 C11 1.387(3) . ? 
C10 H10 0.9300 . ? 
C11 C12 1.391(3) . ? 
C11 H11 0.9300 . ? 
C12 H12 0.9300 . ? 
C13 C18 1.395(3) . ? 
C13 C14 1.397(3) . ? 
C14 C15 1.388(3) . ? 
C14 H14 0.9300 . ? 
C15 C16 1.376(3) . ? 
C15 H15 0.9300 . ? 
C16 C17 1.384(4) . ? 
C16 H16 0.9300 . ? 
C17 C18 1.386(3) . ? 
C17 H17 0.9300 . ? 
C18 H18 0.9300 . ? 
F1 B1 1.380(3) . ? 
F2 B1 1.372(2) . ? 
F3 B1 1.369(3) . ? 
B1 O1 1.512(2) . ? 
O1 B2 1.498(2) . ? 
O1 B2 1.505(2) 3_766 ? 
B2 F5 1.362(2) . ? 
B2 F4 1.362(2) . ? 
B2 O1 1.505(2) 3_766 ? 
 
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
C1 P1 C13 112.28(9) . . ? 
C1 P1 C7 110.72(8) . . ? 
C13 P1 C7 110.09(8) . . ? 
C1 P1 H1P 108.4(10) . . ? 
C13 P1 H1P 106.8(10) . . ? 
C7 P1 H1P 108.3(10) . . ? 
C2 C1 C6 120.76(17) . . ? 
C2 C1 P1 118.30(14) . . ? 
C6 C1 P1 120.87(14) . . ? 
C3 C2 C1 119.1(2) . . ? 
C3 C2 H2 120.5 . . ? 
C1 C2 H2 120.5 . . ? 
C2 C3 C4 120.3(2) . . ? 
C2 C3 H3 119.9 . . ? 
C4 C3 H3 119.9 . . ? 
C5 C4 C3 120.6(2) . . ? 
C5 C4 H4 119.7 . . ? 
C3 C4 H4 119.7 . . ? 
C4 C5 C6 119.8(2) . . ? 
C4 C5 H5 120.1 . . ? 
C6 C5 H5 120.1 . . ? 
C5 C6 C1 119.47(18) . . ? 
C5 C6 H6 120.3 . . ? 
C1 C6 H6 120.3 . . ? 
C8 C7 C12 120.25(18) . . ? 
C8 C7 P1 120.99(15) . . ? 
C12 C7 P1 118.76(14) . . ? 
C9 C8 C7 119.8(2) . . ? 
C9 C8 H8 120.1 . . ? 
C7 C8 H8 120.1 . . ? 
C10 C9 C8 120.1(2) . . ? 
C10 C9 H9 120.0 . . ? 
C8 C9 H9 120.0 . . ? 
C9 C10 C11 120.6(2) . . ? 
C9 C10 H10 119.7 . . ? 
C11 C10 H10 119.7 . . ? 
C10 C11 C12 119.7(2) . . ? 
C10 C11 H11 120.1 . . ? 
C12 C11 H11 120.1 . . ? 
C7 C12 C11 119.5(2) . . ? 
C7 C12 H12 120.2 . . ? 
C11 C12 H12 120.2 . . ? 
C18 C13 C14 120.43(18) . . ? 
C18 C13 P1 120.18(15) . . ? 
C14 C13 P1 119.38(14) . . ? 
C15 C14 C13 119.21(18) . . ? 
C15 C14 H14 120.4 . . ? 
C13 C14 H14 120.4 . . ? 
C16 C15 C14 120.3(2) . . ? 
C16 C15 H15 119.9 . . ? 
C14 C15 H15 119.9 . . ? 
C15 C16 C17 120.6(2) . . ? 
C15 C16 H16 119.7 . . ? 
C17 C16 H16 119.7 . . ? 
C16 C17 C18 120.1(2) . . ? 
C16 C17 H17 119.9 . . ? 
C18 C17 H17 119.9 . . ? 
C17 C18 C13 119.3(2) . . ? 
C17 C18 H18 120.3 . . ? 
C13 C18 H18 120.3 . . ? 
F3 B1 F2 111.71(17) . . ? 
F3 B1 F1 110.9(2) . . ? 
F2 B1 F1 109.82(17) . . ? 
F3 B1 O1 106.56(16) . . ? 
F2 B1 O1 109.31(17) . . ? 
F1 B1 O1 108.45(15) . . ? 
B2 O1 B2 91.17(12) . 3_766 ? 
B2 O1 B1 136.21(14) . . ? 
B2 O1 B1 132.48(14) 3_766 . ? 
F5 B2 F4 112.06(15) . . ? 
F5 B2 O1 114.18(15) . . ? 
F4 B2 O1 113.49(16) . . ? 
F5 B2 O1 113.33(15) . 3_766 ? 
F4 B2 O1 113.09(15) . 3_766 ? 
O1 B2 O1 88.83(12) . 3_766 ? 
 
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
C13 P1 C1 C2 144.73(17) . . . . ? 
C7 P1 C1 C2 -91.77(19) . . . . ? 
C13 P1 C1 C6 -38.26(19) . . . . ? 
C7 P1 C1 C6 85.24(18) . . . . ? 
C6 C1 C2 C3 -1.3(4) . . . . ? 
P1 C1 C2 C3 175.7(2) . . . . ? 
C1 C2 C3 C4 1.6(5) . . . . ? 
C2 C3 C4 C5 -0.5(5) . . . . ? 
C3 C4 C5 C6 -0.9(5) . . . . ? 
C4 C5 C6 C1 1.2(4) . . . . ? 
C2 C1 C6 C5 -0.1(3) . . . . ? 
P1 C1 C6 C5 -177.02(17) . . . . ? 
C1 P1 C7 C8 -13.9(2) . . . . ? 
C13 P1 C7 C8 110.84(18) . . . . ? 
C1 P1 C7 C12 166.80(17) . . . . ? 
C13 P1 C7 C12 -68.44(19) . . . . ? 
C12 C7 C8 C9 2.1(3) . . . . ? 
P1 C7 C8 C9 -177.17(18) . . . . ? 
C7 C8 C9 C10 -0.3(4) . . . . ? 
C8 C9 C10 C11 -1.4(4) . . . . ? 
C9 C10 C11 C12 1.3(4) . . . . ? 
C8 C7 C12 C11 -2.2(4) . . . . ? 
P1 C7 C12 C11 177.0(2) . . . . ? 
C10 C11 C12 C7 0.6(4) . . . . ? 
C1 P1 C13 C18 85.83(17) . . . . ? 
C7 P1 C13 C18 -38.03(18) . . . . ? 
C1 P1 C13 C14 -93.24(16) . . . . ? 
C7 P1 C13 C14 142.91(15) . . . . ? 
C18 C13 C14 C15 0.5(3) . . . . ? 
P1 C13 C14 C15 179.55(14) . . . . ? 
C13 C14 C15 C16 -1.2(3) . . . . ? 
C14 C15 C16 C17 1.0(3) . . . . ? 
C15 C16 C17 C18 0.0(3) . . . . ? 
C16 C17 C18 C13 -0.7(3) . . . . ? 
C14 C13 C18 C17 0.5(3) . . . . ? 
P1 C13 C18 C17 -178.60(16) . . . . ? 
F3 B1 O1 B2 175.83(19) . . . . ? 
F2 B1 O1 B2 -63.3(3) . . . . ? 
F1 B1 O1 B2 56.4(3) . . . . ? 
F3 B1 O1 B2 1.4(3) . . . 3_766 ? 
F2 B1 O1 B2 122.3(2) . . . 3_766 ? 
F1 B1 O1 B2 -118.0(2) . . . 3_766 ? 
B2 O1 B2 F5 -115.15(18) 3_766 . . . ? 
B1 O1 B2 F5 69.0(3) . . . . ? 
B2 O1 B2 F4 114.75(19) 3_766 . . . ? 
B1 O1 B2 F4 -61.1(3) . . . . ? 
B2 O1 B2 O1 0.0 3_766 . . 3_766 ? 
B1 O1 B2 O1 -175.9(2) . . . 3_766 ? 
 
_diffrn_measured_fraction_theta_max    0.931 
_diffrn_reflns_theta_full              30.49 
_diffrn_measured_fraction_theta_full   0.931 
_refine_diff_density_max    0.569 
_refine_diff_density_min   -0.404 
_refine_diff_density_rms    0.055