Enantioselective Syntheses of Various Chiral Multicyclic Compounds with Quaternary Carbon Stereocenters by Catalytic Intramolecular Cycloaddition
Takanori Shibata; Yu-ki Tahara; Kohei Tamura; Kohei Endo; Journal of the American Chemical Society 130 (2008) 3451–3457; doi:10.1021/ja0762083

data_4107549
_publ_contact_author_email       tshibata@waseda.jp
_publ_contact_author_fax         +81-3-5286-8098
_publ_contact_author_name        'Takanori Shibata'
_publ_contact_author_phone       +81-3-5286-8098
_publ_section_title
;
 Enantioselective Syntheses of Various Chiral Multicyclic Compounds with
 Quaternary Carbon Stereocenters by Catalytic Intramolecular Cycloaddition
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3451
_journal_page_last               3457
_journal_paper_doi               10.1021/ja0762083
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'C18 H23 N O2 S '
_chemical_formula_sum            'C18 H23 N O2 S'
_chemical_formula_weight         317.45
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2006-09-21
_audit_creation_method           'by CrystalStructure 3.7.0'
_cell_angle_alpha                90.0000
_cell_angle_beta                 102.229(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   7.4797(4)
_cell_length_b                   11.3176(5)
_cell_length_c                   19.4469(8)
_cell_measurement_reflns_used    6980
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      68.2
_cell_measurement_theta_min      3.9
_cell_volume                     1608.87(13)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.118
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            15751
_diffrn_reflns_theta_full        68.22
_diffrn_reflns_theta_max         68.22
_exptl_absorpt_coefficient_mu    1.836
_exptl_absorpt_correction_T_max  0.832
_exptl_absorpt_correction_T_min  0.379
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.310
_exptl_crystal_description       prism
_exptl_crystal_F_000             680.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.39
_refine_diff_density_min         -0.48
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     222
_refine_ls_number_reflns         1595
_refine_ls_R_factor_gt           0.0647
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.7000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1599
_reflns_number_gt                1576
_reflns_number_total             2932
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja0762083-file001.cif
_cod_data_source_block           '_tahara-new4'
_cod_original_formula_sum        'C18 H23 N O2 S '
_cod_database_code               4107549