Tandem Synthesis of 2,3-Dihydro-4-iminoquinolines via Three-Component Alkyne-Imine Metathesis
Akio Saito; Jun Kasai; Tomoyo Konishi; Yuji Hanzawa; Journal of Organic Chemistry 75 (2010) 6980–6982; doi:10.1021/jo1013993

data_4025729
_publ_contact_author_email       akio-sai@ac.shoyaku.ac.jp
_publ_contact_author_name        'Akio Saito'
_publ_section_title
;
 Tandem Synthesis of 2,3-Dihydro-4-iminoquinolines via Three-Component
 Alkyne-Imine Metathesis
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6980
_journal_page_last               6982
_journal_paper_doi               10.1021/jo1013993
_journal_volume                  75
_journal_year                    2010
_chemical_formula_moiety         'C32 H30 N2 '
_chemical_formula_sum            'C32 H30 N2'
_chemical_formula_weight         442.60
_space_group_IT_number           2
_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             2009-08-04
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                74.3230(14)
_cell_angle_beta                 79.6840(14)
_cell_angle_gamma                66.1750(12)
_cell_formula_units_Z            2
_cell_length_a                   9.10987(19)
_cell_length_b                   11.5457(3)
_cell_length_c                   13.0695(3)
_cell_measurement_reflns_used    6848
_cell_measurement_temperature    93.0
_cell_measurement_theta_max      68.2
_cell_measurement_theta_min      3.5
_cell_volume                     1206.90(5)
_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    SIR2004
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.033
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13706
_diffrn_reflns_theta_full        68.19
_diffrn_reflns_theta_max         68.19
_exptl_absorpt_coefficient_mu    0.538
_exptl_absorpt_correction_T_max  0.970
_exptl_absorpt_correction_T_min  0.835
_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    1.218
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             472.00
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.30
_refine_diff_density_min         -0.29
_refine_ls_extinction_coef       5(3)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     425
_refine_ls_number_reflns         4334
_refine_ls_R_factor_gt           0.0352
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0004Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1058
_reflns_number_gt                2873
_reflns_number_total             4334
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo1013993_si_001.cif
_cod_data_source_block           '_N-Bn-diPh-im2'
_cod_original_formula_sum        'C32 H30 N2 '
_cod_database_code               4025729