Bicyclic guanidine-catalyzed asymmetric Michael additions of 3-benzyl-substituted oxindoles to N-maleimides
Lixin Li; Wenchao Chen; Wenguo Yang; Yuanhang Pan; Hongjun Liu; Choon-Hong Tan; Zhiyong Jiang; Chem.Commun. 48 (2012) 5124–; doi:10.1039/c2cc31587d

data_7107710
_publ_section_title
;
 Bicyclic guanidine-catalyzed asymmetric Michael additions of
 3-benzyl-substituted oxindoles to N-maleimides
;
_journal_name_full               Chem.Commun.
_journal_page_first              5124
_journal_paper_doi               10.1039/c2cc31587d
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C33 H27 Br N2 O3'
_chemical_formula_weight         579.48
_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                 108.273(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.654(11)
_cell_length_b                   8.990(8)
_cell_length_c                   14.054(13)
_cell_measurement_temperature    296(2)
_cell_volume                     1398(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_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  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0907
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8576
_diffrn_reflns_theta_full        28.08
_diffrn_reflns_theta_max         28.08
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    1.507
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             596
_refine_diff_density_max         0.223
_refine_diff_density_min         -0.341
_refine_diff_density_rms         0.043
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.004(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.843
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         5970
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.843
_refine_ls_R_factor_all          0.0731
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0113P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0731
_refine_ls_wR_factor_ref         0.0798
_reflns_number_gt                3721
_reflns_number_total             5970
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc31587d.txt
_cod_data_source_block           1
_cod_database_code               7107710