Asymmetric Hydrogenation of Enamides with Rh-BisP* and Rh-MiniPHOS Catalysts. Scope, Limitations, and Mechanism
Ilya D. Gridnev; Masaya Yasutake; Natsuka Higashi; Tsuneo Imamoto; Journal of the American Chemical Society 123 (2001) 5268–5276; doi:10.1021/ja010161i

data_4115565
_publ_contact_author_address
;
Department of Chemistry, Faculty of
Science, Chiba University, Inage, Chiba
263-8522, Japan
;
_publ_contact_author_email       ' imamoto@scichem.s.chiba-u.ac.jp '
_publ_contact_author_fax         ' +81 43 290 2791 '
_publ_contact_author_name        ' Tsuneo Imamoto'
_publ_contact_author_phone       ' +81 43 290 2791 '
_publ_section_title
;
 Asymmetric Hydrogenation of Enamides with Rh-BisP* and Rh-MiniPHOS
 Catalysts. Scope, Limitations, and Mechanism
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5268
_journal_page_last               5276
_journal_paper_doi               10.1021/ja010161i
_journal_volume                  123
_journal_year                    2001
_chemical_formula_moiety         'C14 H23 N S '
_chemical_formula_sum            'C14 H23 N S'
_chemical_formula_weight         237.40
_chemical_melting_point          414
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.911(1)
_cell_length_b                   17.975(2)
_cell_length_c                   6.865(1)
_cell_measurement_reflns_used    16
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      19.9
_cell_measurement_theta_min      16.8
_cell_volume                     1346.4(3)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR97
_diffrn_measured_fraction_theta_full 1.0020
_diffrn_measured_fraction_theta_max 1.0020
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.059
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            3194
_diffrn_reflns_theta_full        69.00
_diffrn_reflns_theta_max         69.00
_diffrn_standards_decay_%        0.50
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.906
_exptl_absorpt_correction_T_max  0.994
_exptl_absorpt_correction_T_min  0.626
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.171
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.340
_exptl_crystal_size_min          0.100
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_refine_diff_density_min         -0.25
_refine_ls_abs_structure_Flack   -0.04(4)
_refine_ls_extinction_coef       0.01(1)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 gaussian isotropic'
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_refine_ls_hydrogen_treatment    noref
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_refine_ls_R_factor_gt           0.0487
_refine_ls_shift/su_max          0.0060
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0658
_reflns_number_gt                1265
_reflns_number_total             1477
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja010161i.cif
_cod_data_source_block           Ad
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        'C14 H23 N S '
_cod_database_code               4115565