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_4025730
_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 H32 N2 '
_chemical_formula_sum            'C32 H32 N2'
_chemical_formula_weight         444.62
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2009-08-05
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0511(18)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.5092(3)
_cell_length_b                   12.9612(4)
_cell_length_c                   19.9169(6)
_cell_measurement_reflns_used    14497
_cell_measurement_temperature    93.0
_cell_measurement_theta_max      68.2
_cell_measurement_theta_min      4.1
_cell_volume                     2454.77(13)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR2004
_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           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.072
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            26953
_diffrn_reflns_theta_full        68.24
_diffrn_reflns_theta_max         68.24
_exptl_absorpt_coefficient_mu    0.529
_exptl_absorpt_correction_T_max  0.971
_exptl_absorpt_correction_T_min  0.791
_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    1.203
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             952.00
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.22
_refine_diff_density_min         -0.19
_refine_ls_extinction_coef       0.00066(16)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     309
_refine_ls_number_reflns         4496
_refine_ls_R_factor_gt           0.0558
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0462P)^2^+0.7704P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1312
_reflns_number_gt                3109
_reflns_number_total             4496
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo1013993_si_002.cif
_cod_data_source_block           '_N-Bn-diPh-OTHQ2'
_cod_original_cell_volume        2454.76(12)
_cod_original_formula_sum        'C32 H32 N2 '
_cod_database_code               4025730