Replication Data for: ANUVUD, calculation of unit geometry and NBO analysis
收藏DataONE2021-09-29 更新2024-06-08 收录
下载链接：
https://search.dataone.org/view/sha256:347f45c461fea30fdbbb92ab19b7e1ad5e6a2a15cb1830c5ea4bd3abfca8f596
下载链接
链接失效反馈官方服务：
资源简介：
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)
创建时间：
2023-11-13
