A Powerful Synergistic Effect for Highly Efficient Diastereo- and Enantioselective Phase-Transfer Catalyzed Conjugate Additions
Ming-Qing Hua; Lian Wang; Han-Feng Cui; Jing Nie; Xiao-Ling Zhang; Jun-An Ma; Chem.Commun. 47 (2011) 1631–; doi:10.1039/c0cc04321d

data_7105902
_publ_section_title
;
 A Powerful Synergistic Effect for Highly Efficient Diastereo- and
 Enantioselective Phase-Transfer Catalyzed Conjugate Additions
;
_journal_name_full               Chem.Commun.
_journal_page_first              1631
_journal_paper_doi               10.1039/c0cc04321d
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C20 H20 Br N2 O2'
_chemical_formula_weight         400.29
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.7450(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            5
_cell_length_a                   18.2314(8)
_cell_length_b                   7.6297(3)
_cell_length_c                   18.9377(8)
_cell_measurement_temperature    296(2)
_cell_volume                     2429.38(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0204
_diffrn_reflns_av_sigmaI/netI    0.0781
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            12488
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.17
_exptl_absorpt_coefficient_mu    2.129
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1025
_refine_diff_density_max         1.262
_refine_diff_density_min         -0.373
_refine_diff_density_rms         0.145
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.015(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     599
_refine_ls_number_reflns         8232
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0742
_refine_ls_R_factor_gt           0.0539
_refine_ls_shift/su_max          1.672
_refine_ls_shift/su_mean         0.035
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1054P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1670
_refine_ls_wR_factor_ref         0.1829
_reflns_number_gt                6285
_reflns_number_total             8232
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CC04321D.TXT
_cod_data_source_block           090726c
_cod_database_code               7105902