Tandem ene-reaction/hydroamination of amino-olefin and -allene compounds catalyzed by Bi(OTf)3
Kimihiro Komeyama Yuusuke Kouya Yuuki Ohama Ken Takaki; Chem.Commun. 47 (2011) 5031–; doi:10.1039/c0cc05258b

data_7106295
_publ_author_name
'Kimihiro Komeyama Yuusuke Kouya Yuuki Ohama Ken Takaki'
_publ_contact_author_email       kkome@hiroshima-u.ac.jp
_publ_contact_author_name        'Kimihiro Komeyama'
_publ_section_title
;
 Tandem ene-reaction/hydroamination of amino-olefin and -allene compounds
 catalyzed by Bi(OTf)3
;
_journal_coden_Cambridge         0182
_journal_name_full               Chem.Commun.
_journal_page_first              5031
_journal_paper_doi               10.1039/c0cc05258b
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C19 H27 N O3 S'
_chemical_formula_weight         349.48
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                75.194(12)
_cell_angle_beta                 73.861(12)
_cell_angle_gamma                82.003(13)
_cell_formula_units_Z            2
_cell_length_a                   7.673(4)
_cell_length_b                   11.669(6)
_cell_length_c                   11.687(5)
_cell_measurement_temperature    293(2)
_cell_volume                     969.2(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.918
_diffrn_measured_fraction_theta_max 0.918
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0533
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4069
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.62
_exptl_absorpt_coefficient_mu    0.183
_exptl_crystal_density_diffrn    1.198
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             376
_refine_diff_density_max         0.393
_refine_diff_density_min         -0.422
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         4069
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0594
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1178P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1746
_refine_ls_wR_factor_ref         0.1841
_reflns_number_gt                3063
_reflns_number_total             4069
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0cc05258b.txt
_cod_data_source_block           global
_cod_database_code               7106295