Direct Catalytic Asymmetric Mannich-type Reaction of Hydroxyketone Using a Et2Zn/Linked-BINOL Complex: Synthesis of Either anti- or syn-β-Amino Alcohols
Shigeki Matsunaga; Takamasa Yoshida; Hiroyuki Morimoto; Naoya Kumagai; Masakatsu Shibasaki; Journal of the American Chemical Society 126 (2004) 8777–8785; doi:10.1021/ja0482435

data_4112755
_publ_section_title
;
 Direct Catalytic Asymmetric Mannich-type Reaction of Hydroxyketone Using
 a Et2Zn/Linked-BINOL Complex: Synthesis of Either anti- or syn-\b-Amino
 Alcohols
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8777
_journal_page_last               8785
_journal_paper_doi               10.1021/ja0482435
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C25 H27 N O5 '
_chemical_formula_sum            'C25 H27 N O5'
_chemical_formula_weight         421.49
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.492(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.4052(8)
_cell_length_b                   10.230(1)
_cell_length_c                   23.815(2)
_cell_measurement_reflns_used    13774
_cell_measurement_temperature    298.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      1.7
_cell_volume                     2271.8(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9951
_diffrn_measured_fraction_theta_max 0.9951
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.038
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            10009
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.086
_exptl_absorpt_correction_T_max  0.983
_exptl_absorpt_correction_T_min  0.617
_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    1.232
_exptl_crystal_description       block
_exptl_crystal_F_000             896.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.44
_refine_diff_density_min         -0.18
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     371
_refine_ls_number_reflns         2218
_refine_ls_R_factor_gt           0.0500
_refine_ls_shift/su_max          0.0090
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0029Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1300
_reflns_number_gt                2218
_reflns_number_total             5190
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja0482435si20040521_123338.cif
_cod_data_source_block           '_030717SH'
_cod_original_cell_volume        2271.9(3)
_cod_original_formula_sum        'C25 H27 N O5 '
_cod_database_code               4112755