Synthesis of Optically ActiveN,N,N′,N′-Tetraphenyl-1,1′-binaphthyl-2,2′-diamine Derivatives as Analogues of BINAP
Matsuzawa, Hiroshi; Tanabe, Yoshiaki; Miyake, Yoshihiro; Nishibayashi, Yoshiaki; Organometallics 27 (2008) 4021–; doi:10.1021/om800485s

data_4071954
_publ_section_title
;
 Synthesis of Optically
 ActiveN,N,N&#x2032;,N&#x2032;-Tetraphenyl-1,1&#x2032;-binaphthyl-2,2&#x2032;-diamine
 Derivatives as Analogues of BINAP
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              4021
_journal_paper_doi               10.1021/om800485s
_journal_volume                  27
_journal_year                    2008
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C44 H32 N2 '
_chemical_formula_sum            'C44 H32 N2'
_chemical_formula_weight         588.75
_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                   9.0367(12)
_cell_length_b                   10.8324(15)
_cell_length_c                   32.327(4)
_cell_measurement_reflns_used    12844
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_cell_volume                     3164.5(7)
_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    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.171
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            30757
_diffrn_reflns_theta_full        27.41
_diffrn_reflns_theta_max         27.41
_exptl_absorpt_coefficient_mu    0.071
_exptl_absorpt_correction_T_max  0.993
_exptl_absorpt_correction_T_min  0.544
_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    1.236
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1240.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.09
_refine_diff_density_min         -1.02
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  3114 Friedel Pairs'
_refine_ls_abs_structure_Flack   4(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     448
_refine_ls_number_reflns         7163
_refine_ls_R_factor_gt           0.0419
_refine_ls_shift/su_max          0.0002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 0.2170\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1739
_reflns_number_gt                2002
_reflns_number_total             7163
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om800485s-file005.cif
_cod_data_source_block           '_4aa'
_cod_original_formula_sum        'C44 H32 N2 '
_cod_database_code               4071954