Tantalum Catalyzed Hydroaminoalkylation for the Synthesis of α- and β-SubstitutedN-Heterocycles
Payne, Philippa R.; Garcia, Pierre; Eisenberger, Patrick; Yim, Jacky C.-H.; Schafer, Laurel L.; Organic Letters 15 (2013) 2182–; doi:10.1021/ol400729v

data_1511954
_publ_section_title
;
 Tantalum Catalyzed Hydroaminoalkylation for the Synthesis of \a- and
 \b-SubstitutedN-Heterocycles
;
_journal_issue                   9
_journal_name_full               'Organic Letters'
_journal_page_first              2182
_journal_paper_doi               10.1021/ol400729v
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C48 H49 N6 Ta'
_chemical_formula_sum            'C48 H49 N6 Ta'
_chemical_formula_weight         890.88
_chemical_properties_physical    'air-sensitive, moisture-sensitive'
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
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_cell_angle_beta                 108.485(2)
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_cell_measurement_theta_min      2.634
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_computing_structure_refinement  'SHELXL-2012 (Sheldrick, 2012)'
_diffrn_ambient_temperature      90(2)
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_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX DUO'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_probe          x-ray
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_diffrn_reflns_av_unetI/netI     0.0159
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_diffrn_reflns_limit_h_min       -16
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_diffrn_reflns_limit_l_min       -21
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_min         1.444
_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_T_min  0.2937
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_exptl_absorpt_process_details   SADABS-2008/1
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_description       Prisms
_exptl_crystal_F_000             904
_exptl_crystal_recrystallization_method 'Hexanes, benzene'
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_refine_ls_R_factor_all          0.0189
_refine_ls_R_factor_gt           0.0170
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_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0200P)^2^+1.4504P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0416
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_reflns_number_gt                10733
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ol400729v_si_003.cif
_cod_data_source_block           mo_ls348_0mp
_cod_original_cell_volume        1928.1(5)
_cod_database_code               1511954
_shelx_estimated_absorpt_t_min   0.294
_shelx_estimated_absorpt_t_max   0.431
_shelxl_version_number           2012-9
_shelx_res_checksum              83937
_shelx_hkl_checksum              86776