Protonation-Induced Sign Inversion of the Cotton Effects of Pyridinophanes. A Combined Experimental and Theoretical Study.
Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi; The journal of physical chemistry. A 121 (2017) 977–985; doi:10.1021/acs.jpca.6b12287

data_1545168
_publ_section_title
;
 Protonation-Induced Sign Inversion of the Cotton Effects of
 Pyridinophanes. A Combined Experimental and Theoretical Study.
;
_journal_issue                   5
_journal_name_full               'The journal of physical chemistry. A'
_journal_page_first              977
_journal_page_last               985
_journal_paper_doi               10.1021/acs.jpca.6b12287
_journal_volume                  121
_journal_year                    2017
_chemical_formula_moiety         'C15 H15 N S2'
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_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
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_diffrn_reflns_limit_l_min       -10
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    12542.2000    17405.1000    5069.0700
;
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_cod_depositor_comments          'Adding full bibliography for 1545168.cif.'
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