Dimeric Triarylbismuthane Oxide: A Novel Efficient Oxidant for the Conversion of Alcohols to Carbonyl Compounds
Yoshihiro Matano; Hazumi Nomura; Journal of the American Chemical Society 123 (2001) 6443–6444; doi:10.1021/ja010584k

data_4115605
_publ_contact_author_email       ' matano@kuchem.kyoto-u.ac.jp '
_publ_contact_author_fax         ' +81-75-753-4000 '
_publ_contact_author_name        ' Yoshihiro Matano'
_publ_contact_author_phone       ' +81-75-753-4045 '
_publ_section_title
;
 Dimeric Triarylbismuthane Oxide: A Novel Efficient Oxidant for the
 Conversion of Alcohols to Carbonyl Compounds
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6443
_journal_page_last               6444
_journal_paper_doi               10.1021/ja010584k
_journal_volume                  123
_journal_year                    2001
_chemical_formula_moiety         'C42 H42 Bi2 O8 '
_chemical_formula_sum            'C42 H42 Bi2 O8'
_chemical_formula_weight         1092.75
_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 Jul  7 09:47:22 2000'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                108.935(3)
_cell_angle_beta                 104.073(3)
_cell_angle_gamma                104.779(2)
_cell_formula_units_Z            1
_cell_length_a                   10.4018(6)
_cell_length_b                   12.1622(8)
_cell_length_c                   9.0988(6)
_cell_measurement_reflns_used    4337
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.2
_cell_volume                     983.65(11)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_measured_fraction_theta_full 0.9873
_diffrn_measured_fraction_theta_max 0.9873
_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  0.042
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            9056
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.968
_exptl_absorpt_correction_T_max  0.639
_exptl_absorpt_correction_T_min  0.235
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.845
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.50
_refine_diff_density_min         -1.69
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    noref
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_refine_ls_number_reflns         4446
_refine_ls_R_factor_gt           0.0441
_refine_ls_shift/su_max          0.0002
_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         0.1033
_reflns_number_gt                3382
_reflns_number_total             4446
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja010584k.cif
_cod_data_source_block           (o-AnsBi_O)2_oxide
_cod_original_cell_volume        983.7(1)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C42 H42 Bi2 O8 '
_cod_database_code               4115605