Triphenyl(tetrahydrofuranyl)boron
Evans, W. J.; Shreeve, J. L.; Ziller, J. W.; Acta Crystallographica Section C 52 (1996) 2571–2573; doi:10.1107/S0108270196006683

data_2005462
_publ_section_title
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 Triphenyl(tetrahydrofuranyl)boron
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_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2571
_journal_page_last               2573
_journal_paper_doi               10.1107/S0108270196006683
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C22 H23 B O'
_chemical_formula_weight         314.2
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabC
_cell_angle_alpha                90
_cell_angle_beta                 104.725(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.0882(8)
_cell_length_b                   12.7583(14)
_cell_length_c                   15.5461(13)
_cell_measurement_reflns_used    36
_cell_measurement_temperature    163
_cell_measurement_theta_max      14.5
_cell_measurement_theta_min      10
_cell_volume                     1743.4(3)
_computing_structure_refinement
;
Siemens SHELXTL (MicroVAX & PC Versions) (1990)
;
_computing_structure_solution
;
Siemens SHELXTL (MicroVAX & PC Versions) (1990)
;
_diffrn_measurement_device       'Syntex P2~1~'
_diffrn_measurement_method       '\q/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0109
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            3461
_diffrn_reflns_theta_max         25.0
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 98
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.070
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.197
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.26
_refine_diff_density_min         -0.29
_refine_ls_extinction_coef       '\c = 0.0010(4)'
_refine_ls_extinction_method     'F^*^ = F[1 + 0.002\cF^2^/sin(2\q)]^-1/4^'
_refine_ls_goodness_of_fit_obs   1.31
_refine_ls_hydrogen_treatment    'H atoms refined isotropically'
_refine_ls_number_parameters     310
_refine_ls_number_reflns         2228
_refine_ls_R_factor_obs          0.063
_refine_ls_shift/esd_max         0.00
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.0010F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.067
_reflns_number_observed          2228
_reflns_number_total             2749
_reflns_observed_criterion       F>3\s(F)
_cod_data_source_file            bk1195.cif
_cod_data_source_block           bk1195a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' 1/[\s^2^(F)+0.0010F^2^]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(F)+0.0010F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2005462