Elucidation of the E-Amide Preference of N-Acyl Azoles.
Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko; The Journal of organic chemistry 82 (2017) 11370–11382; doi:10.1021/acs.joc.7b01759

data_4032996
_publ_section_title
;
 Elucidation of the E-Amide Preference of N-Acyl Azoles.
;
_journal_issue                   21
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              11370
_journal_page_last               11382
_journal_paper_doi               10.1021/acs.joc.7b01759
_journal_volume                  82
_journal_year                    2017
_chemical_formula_moiety         'C9 H4 Cl3 N3 O'
_chemical_formula_sum            'C9 H4 Cl3 N3 O'
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_refine_ls_number_reflns         1938
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_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+1.1000P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments
'Adding full bibliography for 4032995--4033001.cif.'
_cod_original_cell_volume        545.47(3)
_cod_database_code               4032996
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