2026-10-14T19:47:36Z https://www.scidb.cn/oai

10.11922/sciencedb.01522 2022-03-04T14:55:53Z

2022-03-04 ANUVAD Crystal structure doi:10.11922/sciencedb.01522 en More record breakers for the anomeric effect involving C-N bonds. Another entry is ANUVUD[3] with a crystal structure (data DOI: 10.5517/ccdc.csd.cc24zxdg) shown below and CN and CO lengths of 1.391 and 1.559Å, which in this case ARE reasonably replicated by calculation (1.402, 1.499). This effect is promoted by the good leaving group ability of the carboxylate anion and the antiperiplanar orientation of the nitrogen lone pair with respect to the C-O bond, E(2)=35.2 kcal/mol (DOI: 10.14469/hpc/8807) Gibbs_energy; -1705.490787; VELNVPXNOKVVTC-VJKZSTDTSA-N; InchiKey; Inchi; InChI=1S/C25H39NO9/c1-6-26-20-24-13-9-12-14(31-2)10-23(29; 16(13)17(12)33-4)25(26; 30)19(34-5)18(24)22(11-27; 21(28)35-20)8-7-15(24)32-3/h12-20 Henry Rzepa PUBLIC https://creativecommons.org/publicdomain/zero/1.0/ dataset Science Data Bank