Structures of three disubstituted [13]-macrodilactones reveal effects of substitution on macrocycle conformation
Rutledge, Kelli M.; Griesbach, Caleb; Mercado, Brandon Q.; Peczuh, Mark W.; Acta Crystallographica Section E 76 (2020) 1617–1623; doi:10.1107/S2056989020012037

data_2243666
_publ_section_title
;
 Structures of three disubstituted [13]-macrodilactones reveal effects of
 substitution on macrocycle conformation
;
_journal_coeditor_code           MW2168
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1617
_journal_page_last               1623
_journal_paper_doi               10.1107/S2056989020012037
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac          'C13 H20 O4'
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_chemical_formula_sum            'C13 H20 O4'
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;
<i>trans</i>-4,8-Dimethyl-1,10-dioxacyclotridec-5-ene-2,9-dione
;
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_space_group_name_Hall           '-P 2ybc'
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_cell_length_c                   8.9660(7)
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;
<i>CrystalClear-SM Expert</i> (Rigaku, 2011)
;
_computing_data_collection
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<i>CrystalClear-SM Expert</i> (Rigaku, 2011)
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<i>CrystalClear-SM Expert</i> (Rigaku, 2011)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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<i>CIFTAB2014/2</i> (Sheldrick, 2014)
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<i>SHELXL2014/7</i> (Sheldrick, 2015b)
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<i>SHELXT2014/5</i> (Sheldrick, 2015a)
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;
(<i>REQAB</i>; Jacobson, 1998)
;
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'w=1/[\s^2^(Fo^2^)+(0.1386P)^2^+0.4739P] where P=(Fo^2^+2Fc^2^)/3'
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