Hg(OTf)(2)-Catalyzed Vinylogous Semi-Pinacol Rearrangement Leading to 1,4-Dihydroquinolines.
Namba, Kosuke; Kanaki, Michika; Suto, Hiroki; Nishizawa, Mugio; Tanino, Keiji; Organic letters 14 (2012) 1222–1225; doi:10.1021/ol2034492

data_1507148
_publ_section_title
;
 Hg(OTf)(2)-Catalyzed Vinylogous Semi-Pinacol Rearrangement Leading to
 1,4-Dihydroquinolines.
;
_journal_issue                   5
_journal_name_full               'Organic letters'
_journal_page_first              1222
_journal_page_last               1225
_journal_paper_doi               10.1021/ol2034492
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C25 H29 N O3 S '
_chemical_formula_sum            'C25 H29 N O3 S'
_chemical_formula_weight         423.57
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 96.2616(14)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   15.3524(7)
_cell_length_b                   8.8779(5)
_cell_length_c                   16.3754(8)
_cell_measurement_reflns_used    15232
_cell_measurement_temperature    150.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.4
_cell_volume                     2218.60(19)
_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_ambient_temperature      150.1
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.036
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            21081
_diffrn_reflns_theta_full        27.43
_diffrn_reflns_theta_max         27.43
_exptl_absorpt_coefficient_mu    0.172
_exptl_absorpt_correction_T_max  0.983
_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    1.268
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             904.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.44
_refine_diff_density_min         -1.40
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.938
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     304
_refine_ls_number_reflns         21081
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.0050
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0007Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1361
_reflns_number_gt                14317
_reflns_number_total             5030
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol2034492_si_002.cif
_cod_data_source_block           '_yuuni111115'
_cod_original_cell_volume        2218.61(20)
_cod_original_formula_sum        'C25 H29 N O3 S '
_cod_database_code               1507148