Syntheses and reactions of the bis-boryloxide O(Bpin)2(pin = O2C2Me4).
Hawkeswood, Sarah; Stephan, Douglas W.; Dalton transactions (Cambridge, England : 2003)  (2005) 2182–2187; doi:10.1039/b504246a

data_7008554
_publ_section_title
;
 Syntheses and reactions of the bis-boryloxide O(Bpin)2(pin = O2C2Me4).
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2182
_journal_page_last               2187
_journal_paper_doi               10.1039/b504246a
_journal_year                    2005
_chemical_formula_sum            'C12 H24 B2 O5'
_chemical_formula_weight         269.93
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.599(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.544(4)
_cell_length_b                   21.289(13)
_cell_length_c                   11.767(7)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.0
_cell_volume                     1631.5(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0687
_diffrn_reflns_av_sigmaI/netI    0.1057
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6727
_diffrn_reflns_theta_full        23.27
_diffrn_reflns_theta_max         23.27
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_T_max  0.256573
_exptl_absorpt_correction_T_min  0.146529
_exptl_absorpt_correction_type   sadabs
_exptl_crystal_density_diffrn    1.099
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.228
_refine_diff_density_min         -0.226
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.879
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         2340
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      0.884
_refine_ls_R_factor_all          0.2040
_refine_ls_R_factor_gt           0.0974
_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/[\s^2^(Fo^2^)+(0.1873P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2677
_refine_ls_wR_factor_ref         0.3185
_reflns_number_gt                869
_reflns_number_total             2344
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b504246a.txt
_cod_data_source_block           O(Bpin)2
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7008554