Platinum-catalyzed regio- and stereoselective arylthiolation of internal alkynes.
Yamashita, Fumikazu; Kuniyasu, Hitoshi; Terao, Jun; Kambe, Nobuaki; Organic letters 10 (2008) 101–104; doi:10.1021/ol7025069

data_1504478
_publ_section_title
;
 Platinum-catalyzed regio- and stereoselective arylthiolation of internal
 alkynes.
;
_journal_issue                   1
_journal_name_full               'Organic letters'
_journal_page_first              101
_journal_page_last               104
_journal_paper_doi               10.1021/ol7025069
_journal_volume                  10
_journal_year                    2008
_chemical_formula_sum            'C59 H49 Cl3 O2 P2 Pt S'
_chemical_formula_weight         1185.49
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.5756(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.1258(2)
_cell_length_b                   12.6152(3)
_cell_length_c                   34.5793(7)
_cell_measurement_reflns_used    33540
_cell_measurement_temperature    273.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     5199.72(18)
_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    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9959
_diffrn_measured_fraction_theta_max 0.9959
_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  0.051
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            51383
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    2.986
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.68
_refine_diff_density_min         -1.02
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     613
_refine_ls_number_reflns         8113
_refine_ls_R_factor_gt           0.0399
_refine_ls_shift/su_max          0.5385
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.03800(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0852
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol7025069-file005.cif
_cod_data_source_block           yama30
_cod_original_cell_volume        5199.7(2)
_cod_original_formula_sum        'C59 H49 Cl3 O2 P2 Pt S '
_cod_database_code               1504478