Rapid Access to 3-(Aminomethyl)isoquinoline-Fused Polycyclic Compounds by Copper-Catalyzed Four-Component Coupling, Cascade Cyclization, and Oxidation
Yusuke Ohta; Yushi Kubota; Tsuyoshi Watabe; Hiroaki Chiba; Shinya Oishi; Nobutaka Fujii; Hiroaki Ohno; Journal of Organic Chemistry 74 (2009) 6299–6302; doi:10.1021/jo901090u

data_4024772
_publ_section_title
;
Rapid Access to 3-(Aminomethyl)isoquinoline-Fused Polycyclic Compounds by
Copper-Catalyzed Four-Component Coupling, Cascade Cyclization, and Oxidation
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6299
_journal_page_last               6302
_journal_paper_doi               10.1021/jo901090u
_journal_volume                  74
_journal_year                    2009
_chemical_formula_moiety         'C19 H27 N3 '
_chemical_formula_sum            'C19 H27 N3'
_chemical_formula_weight         297.44
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             2008-09-25
_audit_creation_method           'by CrystalStructure 3.6.0'
_cell_angle_alpha                90
_cell_angle_beta                 107.823(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.2188(6)
_cell_length_b                   11.5364(6)
_cell_length_c                   12.5909(7)
_cell_measurement_reflns_used    10584
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      25.4
_cell_measurement_theta_min      3.3
_cell_volume                     1689.6(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9933
_diffrn_measured_fraction_theta_max 0.9933
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12578
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_exptl_absorpt_coefficient_mu    0.070
_exptl_absorpt_correction_T_max  0.993
_exptl_absorpt_correction_T_min  0.978
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.169
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             648.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.68
_refine_diff_density_min         -0.72
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.788
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     262
_refine_ls_number_reflns         3087
_refine_ls_R_factor_gt           0.0420
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/\s^2^(Fo^2^)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0840
_reflns_number_gt                2436
_reflns_number_total             3087
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo901090u_si_001.cif
_cod_data_source_block           '_080924'
_cod_original_formula_sum        'C19 H27 N3 '
_cod_database_code               4024772