Catalytic Enantioselectivemeso-Epoxide Ring Opening Reaction with Phenolic Oxygen Nucleophile Promoted by Gallium Heterobimetallic Multifunctional Complexes
Shigeki Matsunaga; Jagattaran Das; Jochen Roels; Erasmus M. Vogl; Noriyoshi Yamamoto; Takehiko Iida; Kentaro Yamaguchi; Masakatsu Shibasaki; Journal of the American Chemical Society 122 (2000) 2252–2260; doi:10.1021/ja993650f

data_4115949
_publ_section_title
;
 Catalytic Enantioselectivemeso-Epoxide Ring Opening Reaction with
 Phenolic Oxygen Nucleophile Promoted by Gallium Heterobimetallic
 Multifunctional Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2252
_journal_page_last               2260
_journal_paper_doi               10.1021/ja993650f
_journal_volume                  122
_journal_year                    2000
_chemical_formula_sum            'C65 H70 Ga Li O10'
_chemical_formula_weight         1087.92
_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             'Mon Jun  7 15:26:51 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 106.32(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.013(5)
_cell_length_b                   19.02(1)
_cell_length_c                   15.34(1)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    135.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     2804(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      135.2
_diffrn_detector_area_resol_mean 0.004926
_diffrn_measurement_device_type  'Rigaku RAXIS-II'
_diffrn_radiation_detector       'Imaging Plate'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_av_sigmaI/netI    0.032
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            4229
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         0.00
_diffrn_reflns_theta_min         0.00
_exptl_absorpt_coefficient_mu    0.551
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            clear
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_description       prism
_exptl_crystal_F_000             1148.00
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.50
_refine_diff_density_min         -0.45
_refine_ls_extinction_coef       0.031(2)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 gaussian isotropic'
_refine_ls_goodness_of_fit_ref   2.842
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     695
_refine_ls_number_reflns         3759
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0665
_refine_ls_R_factor_gt           0.0665
_refine_ls_shift/su_max          0.7190
_refine_ls_shift/su_mean         0.0390
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00031|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0771
_refine_ls_wR_factor_ref         0.0770
_reflns_number_gt                3759
_reflns_number_total             4229
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja993650f.cif
_cod_data_source_block           JA993650F-283
_cod_original_cell_volume        2802(3)
_cod_original_sg_symbol_H-M      'P 21 '
_cod_original_formula_sum        'C65 H70 Ga Li O10 '
_cod_database_code               4115949