Harnessing the TEMPO-Catalyzed Aerobic Oxidation for Machetti-De Sarlo Reaction toward Sustainable Synthesis of Isoxazole Libraries.
Vadivelu, Murugan; Sampath, Sugirdha; Muthu, Kesavan; Karthikeyan, Kesavan; Praveen, Chandrasekar; The Journal of organic chemistry 84 (2019) 13636–13645; doi:10.1021/acs.joc.9b01896

data_4034549
_publ_section_title
;
 Harnessing the TEMPO-Catalyzed Aerobic Oxidation for Machetti-De Sarlo
 Reaction toward Sustainable Synthesis of Isoxazole Libraries.
;
_journal_issue                   21
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              13636
_journal_page_last               13645
_journal_paper_doi               10.1021/acs.joc.9b01896
_journal_volume                  84
_journal_year                    2019
_chemical_formula_sum            'C17 H12 F N O3'
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_cell_measurement_reflns_used    2261
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_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_exptl_absorpt_correction_T_min  0.964
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/5(Bruker AXS.Inc)'
_exptl_crystal_colour            colourless
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_exptl_crystal_description       Rectangular
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_refine_ls_R_factor_all          0.0837
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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^)+(0.0369P)^2^+2.2257P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             2498
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4034549
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.964
_shelx_estimated_absorpt_t_max   0.987
_shelx_res_checksum              6324
_shelx_hkl_checksum              23759