Platinum-Catalyzed, One-Pot Tandem Synthesis of Indoles and Isoquinolines via Sequential Rearrangement of Amides and Aminocyclization
Noriko Okamoto; Kei Takeda; Reiko Yanada; Journal of Organic Chemistry 75 (2010) 7615–7625; doi:10.1021/jo101347f

data_4025792
_publ_contact_author_email       y-miwa@ps.hirokoku-u.ac.jp
_publ_contact_author_fax         +81-823-73-8570
_publ_contact_author_name        'Yoshihisa Miwa'
_publ_contact_author_phone       +81-823-73-8946
_publ_section_title
;
 Platinum-Catalyzed, One-Pot Tandem Synthesis of Indoles and Isoquinolines
 via Sequential Rearrangement of Amides and Aminocyclization
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7615
_journal_page_last               7625
_journal_paper_doi               10.1021/jo101347f
_journal_volume                  75
_journal_year                    2010
_chemical_formula_moiety         'C12 H11 N O2 '
_chemical_formula_sum            'C12 H11 N O2'
_chemical_formula_weight         201.22
_chemical_melting_point          217
_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             2009-05-18
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 94.43(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.867(8)
_cell_length_b                   8.666(6)
_cell_length_c                   11.827(12)
_cell_measurement_reflns_used    6922
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.1
_cell_volume                     1008.3(15)
_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    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.022
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9637
_diffrn_reflns_theta_full        27.44
_diffrn_reflns_theta_max         27.44
_exptl_absorpt_coefficient_mu    0.091
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.832
_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    1.326
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             424.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.45
_refine_diff_density_min         -0.36
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.911
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     147
_refine_ls_number_reflns         1302
_refine_ls_R_factor_gt           0.0496
_refine_ls_shift/su_max          0.0004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    880.1900    1157.3400    285.4440
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0689
_reflns_number_gt                1290
_reflns_number_total             2293
_reflns_threshold_expression     F^2^>2.0's(F^2^)
_cod_data_source_file            jo101347f_si_002.cif
_cod_data_source_block           '_yanada2'
_cod_original_cell_volume        1008.2(15)
_cod_original_formula_sum        'C12 H11 N O2 '
_cod_database_code               4025792