Acylation of Nitronates: [3,3]-Sigmatropic Rearrangement of in Situ Generated N-Acyloxy, N-oxyenamines.
Kokuev, Aleksandr O.; Antonova, Yulia A.; Dorokhov, Valentin S.; Golovanov, Ivan S.; Nelyubina, Yulia V.; Tabolin, Andrey A.; Sukhorukov, Alexey Yu; Ioffe, Sema L.; The Journal of organic chemistry 83 (2018) 11057–11066; doi:10.1021/acs.joc.8b01652

data_4035658
_publ_section_title
;
 Acylation of Nitronates: [3,3]-Sigmatropic Rearrangement of in Situ
 Generated N-Acyloxy, N-oxyenamines.
;
_journal_issue                   18
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              11057
_journal_page_last               11066
_journal_paper_doi               10.1021/acs.joc.8b01652
_journal_volume                  83
_journal_year                    2018
_chemical_formula_moiety         'C20 H29 N O5'
_chemical_formula_sum            'C20 H29 N O5'
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_diffrn_measurement_method       'phi and omega scans'
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_exptl_absorpt_correction_T_max  0.4330
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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
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         8669
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.361
_refine_ls_R_factor_all          0.1276
_refine_ls_R_factor_gt           0.0965
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+2.9000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_estimated_absorpt_t_min   0.970
_shelx_estimated_absorpt_t_max   0.991
_diffrn_reflns_v_r_equivalents   0.0710
_shelxl_version_number           2014/6
_shelx_res_checksum              48748
_shelx_hkl_checksum              26907