Fluorotetraphenylbismuth: A New Reagent for Efficient Regioselective α-Phenylation of Carbonyl Compounds
Takashi Ooi; Ryoji Goto; Keiji Maruoka; Journal of the American Chemical Society 125 (2003) 10494–10495; doi:10.1021/ja030150k

data_4114102
_publ_contact_author_email       ' maruoka@kuchem.kyoto-u.ac.jp'
_publ_contact_author_fax         ' +81-75-753-4000 '
_publ_contact_author_name        ' Keiji Maruoka'
_publ_contact_author_phone       ' +81-75-753-4041 '
_publ_section_title
;
 Fluorotetraphenylbismuth: A New Reagent for Efficient Regioselective
 \a-Phenylation of Carbonyl Compounds
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10494
_journal_page_last               10495
_journal_paper_doi               10.1021/ja030150k
_journal_volume                  125
_journal_year                    2003
_chemical_formula_moiety         'C24 H20 Bi F '
_chemical_formula_sum            'C24 H20 Bi F'
_chemical_formula_weight         536.40
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Fri Jun  6 03:23:27 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                107.336(5)
_cell_angle_beta                 90.416(8)
_cell_angle_gamma                113.695(5)
_cell_formula_units_Z            2
_cell_length_a                   9.431(2)
_cell_length_b                   10.027(2)
_cell_length_c                   11.824(1)
_cell_measurement_reflns_used    5133
_cell_measurement_temperature    123.2
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.8
_cell_volume                     967.0(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR88
_diffrn_detector_area_resol_mean 5.00
_diffrn_measured_fraction_theta_full 0.9850
_diffrn_measured_fraction_theta_max 0.9850
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.063
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8872
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    9.113
_exptl_absorpt_correction_T_max  0.235
_exptl_absorpt_correction_T_min  0.092
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.842
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.01
_refine_diff_density_min         -2.49
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     235
_refine_ls_number_reflns         4342
_refine_ls_R_factor_gt           0.0321
_refine_ls_shift/su_max          0.0141
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0904
_reflns_number_gt                3916
_reflns_number_total             4342
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja030150k.cif
_cod_data_source_block           goto2415
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C24 H20 Bi F '
_cod_database_code               4114102