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_4022248
_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_moiety         'C17 H26 N O3 S '
_chemical_formula_sum            'C17 H26 N O3 S'
_chemical_formula_weight         324.46
_space_group_IT_number           146
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_audit_creation_date             'Thu Sep  6 13:18:45 2001'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   20.6980(5)
_cell_length_b                   20.6980(5)
_cell_length_c                   11.1777(3)
_cell_measurement_reflns_used    2452
_cell_measurement_temperature    159.2
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      1.8
_cell_volume                     4147.1(2)
_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
_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  0.037
_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    1.611
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.169
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate-like
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.63
_refine_diff_density_min         -0.23
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.620
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     198
_refine_ls_number_reflns         1278
_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         0.0436
_reflns_number_gt                0
_reflns_number_total             0
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo025957u_s2_1.cif
_cod_data_source_block           T._Tang's_optical_organic_4m
_cod_original_sg_symbol_H-M      'R 3        '
_cod_original_formula_sum        'C17 H26 N O3 S '
_cod_database_code               4022248