Elemental Sulfur-Promoted Oxidative Rearranging Coupling between o-Aminophenols and Ketones: A Synthesis of 2-Alkyl benzoxazoles under Mild Conditions.
Nguyen, Thanh Binh; Retailleau, Pascal; Organic letters 19 (2017) 3887–3890; doi:10.1021/acs.orglett.7b01775

data_1546501
_publ_section_title
;
 Elemental Sulfur-Promoted Oxidative Rearranging Coupling between
 o-Aminophenols and Ketones: A Synthesis of 2-Alkyl benzoxazoles under
 Mild Conditions.
;
_journal_issue                   14
_journal_name_full               'Organic letters'
_journal_page_first              3887
_journal_page_last               3890
_journal_paper_doi               10.1021/acs.orglett.7b01775
_journal_volume                  19
_journal_year                    2017
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;
CrysAlisPro 1.171.39.7b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
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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^)+(0.0203P)^2^+0.2825P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0567
_refine_ls_wR_factor_ref         0.0582
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1947
_reflns_number_total             2186
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           exp_1
_cod_depositor_comments          'Adding full bibliography for 1546501.cif.'
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