Cobalt-Catalyzed Thiolative Lactonization of Alkynes with Double CO Incorporation
Higuchi, Yoshihiro; Atobe, Shingo; Tanaka, Michiru; Kamiya, Ikuyo; Yamamoto, Takuya; Nomoto, Akihiro; Sonoda, Motohiro; Ogawa, Akiya; Organometallics 30 (2011) 4539–; doi:10.1021/om200248f

data_4064666
_publ_section_title
;
 Cobalt-Catalyzed Thiolative Lactonization of Alkynes with Double CO
 Incorporation
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4539
_journal_paper_doi               10.1021/om200248f
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C17 H20 O2 S '
_chemical_formula_sum            'C17 H20 O2 S'
_chemical_formula_weight         288.40
_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                90.0000
_cell_angle_beta                 102.126(6)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.061(2)
_cell_length_b                   11.892(3)
_cell_length_c                   13.945(3)
_cell_measurement_reflns_used    5049
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.2
_cell_measurement_theta_min      3.0
_cell_volume                     1631.2(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      296.1
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.110
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            3698
_diffrn_reflns_theta_full        27.43
_diffrn_reflns_theta_max         27.43
_exptl_absorpt_coefficient_mu    0.197
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.174
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             616.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.48
_refine_diff_density_min         -0.30
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.170
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     199
_refine_ls_number_reflns         2438
_refine_ls_R_factor_gt           0.1292
_refine_ls_shift/su_max          0.0025
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    9.1985    3.2307    6.0611
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1304
_reflns_number_gt                2421
_reflns_number_total             3698
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om200248f_si_002.cif
_cod_data_source_block           '_higuti'
_cod_original_formula_sum        'C17 H20 O2 S '
_cod_database_code               4064666