A Bench-Stable Homodinuclear Ni2-Schiff Base Complex for Catalytic Asymmetric Synthesis of α-Tetrasubstituted anti-α,β-Diamino Acid Surrogates
Zhihua Chen; Hiroyuki Morimoto; Shigeki Matsunaga; Masakatsu Shibasaki; Journal of the American Chemical Society 130 (2008) 2170–2171; doi:10.1021/ja710398q

data_4107446
_publ_section_title
;
 A Bench-Stable Homodinuclear Ni2-Schiff Base Complex for Catalytic
 Asymmetric Synthesis of \a-Tetrasubstituted anti-\a,\b-Diamino Acid
 Surrogates
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2170
_journal_page_last               2171
_journal_paper_doi               10.1021/ja710398q
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'C19 H28 N2 O6 '
_chemical_formula_sum            'C19 H28 N2 O6'
_chemical_formula_weight         380.44
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   8.9919(2)
_cell_length_b                   11.0151(3)
_cell_length_c                   20.8011(6)
_cell_measurement_reflns_used    19640
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_cell_volume                     2060.28(9)
_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    SIR2002
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.019
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            20321
_diffrn_reflns_theta_full        27.41
_diffrn_reflns_theta_max         27.41
_exptl_absorpt_coefficient_mu    0.091
_exptl_absorpt_correction_T_max  0.955
_exptl_absorpt_correction_T_min  0.829
_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    1.226
_exptl_crystal_description       block
_exptl_crystal_F_000             816.00
_exptl_crystal_size_max          1.00
_exptl_crystal_size_mid          1.00
_exptl_crystal_size_min          0.50
_refine_diff_density_max         0.20
_refine_diff_density_min         -0.16
_refine_ls_extinction_coef       150(28)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     357
_refine_ls_number_reflns         2678
_refine_ls_R_factor_gt           0.0243
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0005Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0635
_reflns_number_gt                2491
_reflns_number_total             2678
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja710398q-file004.cif
_cod_data_source_block           '_071101chen'
_cod_original_formula_sum        'C19 H28 N2 O6 '
_cod_database_code               4107446