One-Pot Construction of Multiple Contiguous Chiral Centers Using Michael Addition of Chiral Amine
Minoru Ozeki; Shunsuke Ochi; Noboru Hayama; Shinzo Hosoi; Tetsuya Kajimoto; Manabu Node; Journal of Organic Chemistry 75 (2010) 4201–4211; doi:10.1021/jo1004586

data_4025492
_publ_section_title
;
 One-Pot Construction of Multiple Contiguous Chiral Centers Using Michael
 Addition of Chiral Amine
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4201
_journal_page_last               4211
_journal_paper_doi               10.1021/jo1004586
_journal_volume                  75
_journal_year                    2010
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C35 H51 N O4 '
_chemical_formula_sum            'C35 H51 N O4'
_chemical_formula_weight         549.79
_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                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.71305(19)
_cell_length_b                   10.9563(2)
_cell_length_c                   28.0088(5)
_cell_measurement_reflns_used    29727
_cell_measurement_temperature    295.1
_cell_measurement_theta_max      68.2
_cell_measurement_theta_min      3.2
_cell_volume                     3287.54(10)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            5946
_diffrn_reflns_theta_full        68.20
_diffrn_reflns_theta_max         68.20
_exptl_absorpt_coefficient_mu    0.557
_exptl_absorpt_correction_T_max  0.956
_exptl_absorpt_correction_T_min  0.778
_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    1.111
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1200.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.31
_refine_diff_density_min         -0.28
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  2576 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.2(3)
_refine_ls_extinction_coef       211(21)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.183
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     432
_refine_ls_number_reflns         4648
_refine_ls_R_factor_gt           0.0598
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1470
_reflns_number_gt                3974
_reflns_number_total             5946
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo1004586_si_003.cif
_cod_data_source_block           '_r-og-147'
_cod_original_cell_volume        3287.55(10)
_cod_original_formula_sum        'C35 H51 N O4 '
_cod_database_code               4025492