Ruthenium-Catalyzed Propargylic Substitution Reaction of Propargylic Alcohols with Thiols: A General Synthetic Route to Propargylic Sulfides
Youichi Inada; Yoshiaki Nishibayashi; Masanobu Hidai; Sakae Uemura; Journal of the American Chemical Society 124 (2002) 15172–15173; doi:10.1021/ja027754t

data_4115405
_publ_section_title
;
 Ruthenium-Catalyzed Propargylic Substitution Reaction of Propargylic
 Alcohols with Thiols: A General Synthetic Route to Propargylic Sulfides
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15172
_journal_page_last               15173
_journal_paper_doi               10.1021/ja027754t
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety         'C23 H36 Cl F3 O4 S3 Ru2 '
_chemical_formula_sum            'C23 H36 Cl F3 O4 Ru2 S3'
_chemical_formula_weight         767.30
_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'
_cell_angle_alpha                73.528(2)
_cell_angle_beta                 74.898(2)
_cell_angle_gamma                78.929(1)
_cell_formula_units_Z            2
_cell_length_a                   8.7183(3)
_cell_length_b                   12.1533(6)
_cell_length_c                   15.4338(9)
_cell_measurement_reflns_used    7720
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.1
_cell_volume                     1501.65(13)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9947
_diffrn_measured_fraction_theta_max 0.9900
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14275
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.349
_exptl_absorpt_correction_T_max  0.874
_exptl_absorpt_correction_T_min  0.804
_exptl_absorpt_correction_type
;
\DF (DIFABS; Walker & Stuart, 1983)
;
_exptl_absorpt_process_details   '(Walker & Stuart, 1983)'
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_description       unknown
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.34
_refine_diff_density_min         -0.90
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.484
_refine_ls_number_parameters     325
_refine_ls_number_reflns         9837
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.0300
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0480
_reflns_number_gt                9837
_reflns_number_total             6821
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja027754t-8_s2.cif
_cod_data_source_block           '_Ru-SMe___________________'
_cod_original_cell_volume        1501.7(1)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C23 H36 Cl F3 O4 S3 Ru2 '
_cod_database_code               4115405