Fates of imine intermediates in radical cyclizations ofN-sulfonylindoles and ene-sulfonamides
Zhang, Hanmo; Hay, E. Ben; Geib, Stephen J.; Curran, Dennis P.; Beilstein Journal of Organic Chemistry 11 (2015) 1649–; doi:10.3762/bjoc.11.181

data_4031517
_publ_section_title
;
 Fates of imine intermediates in radical cyclizations ofN-sulfonylindoles
 and ene-sulfonamides
;
_journal_name_full               'Beilstein Journal of Organic Chemistry'
_journal_page_first              1649
_journal_paper_doi               10.3762/bjoc.11.181
_journal_volume                  11
_journal_year                    2015
_chemical_absolute_configuration unk
_chemical_formula_sum            'C20 H22 N2 O4'
_chemical_formula_weight         354.39
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_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   mixed
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_cell_angle_gamma                90
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_cell_length_b                   4.96200(10)
_cell_length_c                   15.2826(3)
_cell_measurement_reflns_used    5838
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_cell_measurement_theta_min      3.073
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_computing_cell_refinement       'Bruker SAINT'
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_diffrn_ambient_temperature      104(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Bruker X8 Prospector Ultra'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_limit_l_min       -18
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_diffrn_reflns_point_group_measured_fraction_full 0.983
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker Sadabs'
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_exptl_crystal_density_diffrn    1.346
_exptl_crystal_description       plate
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.0(3)
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         2944
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0640P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_fraction_full    0.986
_reflns_Friedel_fraction_max     0.959
_reflns_number_gt                2582
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            1860-5397-11-181-S2.cif
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_shelx_estimated_absorpt_t_max   0.985
_shelx_res_checksum              79723
_shelx_hkl_checksum              63488