Simple Open-Chain Phosphite-Olefin as Ligand for Rh-Catalyzed Asymmetric Arylation of Cyclic Ketimines: Enantioselective Access to gem-Diaryl α-Amino Acid Derivatives
Li, Yi; Yu, Yue-Na; Xu, Ming-Hua; ACS Catalysis 6 (2016) 661–; doi:10.1021/acscatal.5b02403

data_4513780
_publ_section_title
;
 Simple Open-Chain Phosphite-Olefin as Ligand for Rh-Catalyzed Asymmetric
 Arylation of Cyclic Ketimines: Enantioselective Access to gem-Diaryl
 \a-Amino Acid Derivatives
;
_journal_issue                   2
_journal_name_full               'ACS Catalysis'
_journal_page_first              661
_journal_paper_doi               10.1021/acscatal.5b02403
_journal_volume                  6
_journal_year                    2016
_chemical_formula_sum            'C15 H13 Br N2 O3 S'
_chemical_formula_weight         381.24
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.994(3)
_cell_angle_beta                 96.214(3)
_cell_angle_gamma                108.761(3)
_cell_formula_units_Z            2
_cell_length_a                   8.9143(5)
_cell_length_b                   10.0383(6)
_cell_length_c                   10.4508(6)
_cell_measurement_temperature    296(2)
_cell_volume                     825.44(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0244
_diffrn_reflns_av_sigmaI/netI    0.0533
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            13234
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    2.629
_exptl_absorpt_correction_T_max  0.7790
_exptl_absorpt_correction_T_min  0.2276
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             384
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.456
_refine_diff_density_min         -0.577
_refine_diff_density_rms         0.053
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.023(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         6172
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.137
_refine_ls_R_factor_all          0.0413
_refine_ls_R_factor_gt           0.0335
_refine_ls_shift/su_max          0.038
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0356P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0873
_refine_ls_wR_factor_ref         0.0902
_reflns_number_gt                5323
_reflns_number_total             6172
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cs5b02403_si_002.cif
_cod_data_source_block           mo_2014028_0m
_cod_depositor_comments          'Adding full bibliography for 4513780.cif.'
_cod_original_cell_volume        825.44(8)
_cod_database_code               4513780