Asymmetric Synthesis of β-Amino Acid Derivatives Incorporating a Broad Range of Substitution Patterns by Enolate Additions to tert-Butanesulfinyl Imines
Tony P. Tang; Jonathan A. Ellman; Journal of Organic Chemistry 67 (2002) 7819–7832; doi:10.1021/jo025957u

data_4022249
_publ_contact_author_email       ' jellman@uclink.berkeley.edu '
_publ_contact_author_name        ' Jonathan A. Ellman    '
_publ_section_title
;
 Asymmetric Synthesis of \b-Amino Acid Derivatives Incorporating
 a Broad Range of Substitution Patterns by Enolate
 Additions to tert-Butanesulfinyl Imines
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7819
_journal_page_last               7832
_journal_paper_doi               10.1021/jo025957u
_journal_volume                  67
_journal_year                    2002
_chemical_formula_sum            'C20 H28 N6 O4 S'
_chemical_formula_weight         448.54
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             'Thu Feb 21 15:58:36 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 96.510(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.338(1)
_cell_length_b                   23.936(2)
_cell_length_c                   10.855(1)
_cell_measurement_reflns_used    2292
_cell_measurement_temperature    156.2
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      1.8
_cell_volume                     2410.6(4)
_computing_cell_refinement       'Bruker SAINT v5.04'
_computing_data_collection       'Bruker SMART v5.0'
_computing_data_reduction        'Bruker SAINT v5.04'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR92
_diffrn_measurement_device_type  'SMART CCD'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.047
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            0
_exptl_absorpt_coefficient_mu    0.170
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.236
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tablet
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.15
_refine_diff_density_min         -0.15
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.797
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     558
_refine_ls_number_reflns         3545
_refine_ls_R_factor_gt           0.0000
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0283
_reflns_number_gt                0
_reflns_number_total             0
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo025957u_s2_2.cif
_cod_data_source_block
Tony_Tang's_Organic_whatsit_nitrobenzylamideof19
_cod_original_sg_symbol_H-M      'P 21       '
_cod_original_formula_sum        'C20 H28 N6 O4 S '
_cod_database_code               4022249