Electrochemical synthesis of benzoxazoles from anilides - a new approach to employ amidyl radical intermediates.
Gieshoff, Tile; Kehl, Anton; Schollmeyer, Dieter; Moeller, Kevin D.; Waldvogel, Siegfried R.; Chemical communications (Cambridge, England) 53 (2017) 2974–2977; doi:10.1039/c7cc00927e

data_7119693
_publ_section_title
;
 Electrochemical synthesis of benzoxazoles from anilides - a new approach
 to employ amidyl radical intermediates.
;
_journal_issue                   20
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              2974
_journal_page_last               2977
_journal_paper_doi               10.1039/c7cc00927e
_journal_volume                  53
_journal_year                    2017
_chemical_formula_moiety         'C14 H8 F3 N O4 S'
_chemical_formula_sum            'C14 H8 F3 N O4 S'
_chemical_formula_weight         343.27
_chemical_name_systematic
;
6-Trifluormethansulfonat-2-phenyl-1,3-benzoxazole
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2017-01-30 deposited with the CCDC.
2017-02-20 downloaded from the CCDC.
;
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_cell_volume                     1364.75(17)
_computing_cell_refinement       'STOE X-AREA'
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_diffrn_measurement_details      ' 132 frames, detector distance = 70 mm'
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_type           MoK\a
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_exptl_absorpt_coefficient_mu    0.294
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_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: EtOH'
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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^)+(0.0374P)^2^+0.7832P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0778
_refine_ls_wR_factor_ref         0.0843
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2619
_reflns_number_total             3288
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7cc00927e2.cif
_cod_data_source_block           2c
_cod_depositor_comments          'Adding full bibliography for 7119693.cif.'
_cod_database_code               7119693
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.887
_shelx_estimated_absorpt_t_max   0.974
_shelx_res_checksum              91317