Achiral Benzophenone Ligand-Rhodium Complex with Chiral Diamine Activator for High Enantiocontrol in Asymmetric Transfer Hydrogenation
Kohsuke Aikawa; Kazuki Wakabayashi; Yukinori Yusa; Chemical Communications  (2006) –; doi:10.1039/b517585b

data_7101181
_publ_section_title
;
Achiral Benzophenone
Ligand-Rhodium Complex with Chiral Diamine Activator for High
Enantiocontrol in Asymmetric Transfer Hydrogenation
;
_journal_issue                   22
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b517585b
_journal_year                    2006
_chemical_formula_moiety         'C37 H28 Cl2 O P2 Pt '
_chemical_formula_sum            'C37 H28 Cl2 O P2 Pt'
_chemical_formula_weight         816.57
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2005-12-20
_audit_creation_method           'by CrystalStructure 3.6.0'
_cell_angle_alpha                84.662(11)
_cell_angle_beta                 86.318(10)
_cell_angle_gamma                67.139(9)
_cell_formula_units_Z            2
_cell_length_a                   11.283(3)
_cell_length_b                   11.358(3)
_cell_length_c                   16.448(5)
_cell_measurement_reflns_used    7109
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      31.5
_cell_measurement_theta_min      2.2
_cell_volume                     1932.8(10)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.6603
_diffrn_measured_fraction_theta_max 0.6603
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.191
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9253
_diffrn_reflns_theta_full        31.41
_diffrn_reflns_theta_max         31.41
_exptl_absorpt_coefficient_mu    3.861
_exptl_absorpt_correction_T_max  0.462
_exptl_absorpt_correction_T_min  0.138
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.403
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             800.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         7.49
_refine_diff_density_min         -7.60
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.298
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     415
_refine_ls_number_reflns         8421
_refine_ls_R_factor_gt           0.1520
_refine_ls_shift/su_max          0.2420
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.1740
_reflns_number_gt                8421
_reflns_number_total             8439
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b517585b.txt
_cod_original_formula_sum        'C37 H28 Cl2 O P2 Pt '
_cod_database_code               7101181