Direct enantio-convergent transformation of racemic substrates without racemization or symmetrization.
Ito, Hajime; Kunii, Shun; Sawamura, Masaya; Nature chemistry 2 (2010) 972–976; doi:10.1038/nchem.801

data_1508117
_publ_section_title
;
 Direct enantio-convergent transformation of racemic substrates without
 racemization or symmetrization.
;
_journal_issue                   11
_journal_name_full               'Nature chemistry'
_journal_page_first              972
_journal_page_last               976
_journal_paper_doi               10.1038/nchem.801
_journal_volume                  2
_journal_year                    2010
_chemical_formula_moiety         'C20 H19 Br O2 '
_chemical_formula_sum            'C20 H19 Br O2'
_chemical_formula_weight         371.27
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 93.43(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   11.980(6)
_cell_length_b                   6.098(3)
_cell_length_c                   23.525(10)
_cell_measurement_reflns_used    11345
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1715.5(14)
_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    SIR92
_diffrn_ambient_temperature      296.1
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.083
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            15244
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    2.410
_exptl_absorpt_correction_T_max  0.786
_exptl_absorpt_correction_T_min  0.017
_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    1.437
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             760.00
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.85
_refine_diff_density_min         -0.68
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.835
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     227
_refine_ls_number_reflns         3903
_refine_ls_R_factor_gt           0.0436
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0001Fo^2^ + 0.6000\s(Fo^2^) + 0.2000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1055
_reflns_number_gt                1749
_reflns_number_total             3903
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            nchem.801-s2.cif
_cod_data_source_block           '_ito091120'
_cod_original_cell_volume        1715.6(14)
_cod_original_formula_sum        'C20 H19 Br O2 '
_cod_database_code               1508117