First synthesis of alkynyltriphenylbismuthonium salts and their dual reaction modes in sulfonylation
Matano, Yoshihiro; Chemical Communications  (2000) 2233–; doi:10.1039/b006881k

data_7115132
_publ_section_title
;
 First synthesis of alkynyltriphenylbismuthonium salts and their dual
 reaction modes in sulfonylation
;
_journal_issue                   22
_journal_name_full               'Chemical Communications'
_journal_page_first              2233
_journal_paper_doi               10.1039/b006881k
_journal_year                    2000
_chemical_formula_sum            'C24 H24 B Bi F4'
_chemical_formula_weight         608.24
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.235(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.863(1)
_cell_length_b                   13.7651(8)
_cell_length_c                   19.835(1)
_cell_measurement_reflns_used    20598
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.8
_cell_volume                     4826.9(5)
_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    SIR92
_diffrn_measured_fraction_theta_full 0.9566
_diffrn_measured_fraction_theta_max 0.9566
_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  0.057
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            40421
_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    7.330
_exptl_absorpt_correction_T_max  0.693
_exptl_absorpt_correction_T_min  0.409
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.84
_refine_diff_density_min         -1.37
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.845
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     541
_refine_ls_number_reflns         10596
_refine_ls_R_factor_gt           0.0393
_refine_ls_shift/su_max          0.0212
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05200(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1078
_reflns_number_gt                5237
_reflns_number_total             10596
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b006881k.txt
_cod_data_source_block           0524
_cod_original_cell_volume        4826.8(5)
_cod_original_formula_sum        'C48 H48 B2 Bi2 F8 '
_cod_database_code               7115132