8,8′-Dialkyl-1,1′-biisoquinolines: preparation, absolute configuration and unexpected racemization behaviour †
Tsue, Hirohito; Fujinami, Hideyuki; Itakura, Takeshi; Tsuchiya, Ryuta; Kobayashi, Kimiko; Takahashi, Hiroki; Hirao, Ken-ichi; Journal of the Chemical Society, Perkin Transactions 1  (1999) 3677–; doi:10.1039/a905161i

data_7213138
_publ_section_title
;
 8,8&#x2032;-Dialkyl-1,1&#x2032;-biisoquinolines: preparation, absolute
 configuration and unexpected racemization behaviour&#x200A;&#x2020;
;
_journal_issue                   24
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions 1'
_journal_page_first              3677
_journal_paper_doi               10.1039/a905161i
_journal_year                    1999
_chemical_formula_moiety         'C20 H16 N2 '
_chemical_formula_sum            'C20 H16 N2'
_chemical_formula_weight         284.35
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_audit_creation_date             'Oct 11 11996'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   31.695(2)
_cell_length_b                   31.695(2)
_cell_length_c                   7.7985(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.7
_cell_measurement_theta_max      18.34
_cell_measurement_theta_min      10.55
_cell_volume                     6784.6(9)
_computing_cell_refinement       'CAD4 express'
_computing_data_collection       'CAD4 express'
_computing_data_reduction        'UNICS III'
_computing_publication_material  'UNICS III'
_computing_structure_refinement  'The Block diagonal least squer'
_computing_structure_solution    MULTAN78
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'Enraf nonius CAD4'
_diffrn_measurement_method       \w
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'CAD4 sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            3053
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         25.75
_diffrn_reflns_theta_min         2
_diffrn_standards_decay_%        -2.40
_diffrn_standards_interval_count 120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.074
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.986
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   Tompa_analytical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2700
_exptl_crystal_size_max          0.540
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.430
_refine_diff_density_max         0.17
_refine_diff_density_min         -0.17
_refine_ls_goodness_of_fit_all   2.10
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           block
_refine_ls_number_constraints    0
_refine_ls_number_parameters     264
_refine_ls_number_reflns         2215
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          1.36
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00078|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0410
_refine_ls_wR_factor_ref         0.0410
_reflns_number_gt                2215
_reflns_number_total             2355
_reflns_observed_criterion       >2.0sigma(I)
_cod_data_source_file            905161isup1.cif
_cod_data_source_block           1
_cod_original_cell_volume        6784.7(8)
_cod_original_sg_symbol_H-M      'R_-3 '
_cod_original_formula_sum        'C20 H16 N2 '
_cod_database_code               7213138