(2S,3S)-2-(N,N-dibenzylamino)butane-1,3-diol refined using a multipolar atom model.
作者信息
Ejsmont Krzysztof, Joly Jean Pierre, Wenger Emmanuel, Jelsch Christian
机构信息
Institute of Chemistry, University of Opole, Oleska 48, 45-052 Opole, Poland.
出版信息
Acta Crystallogr C. 2008 Jan;64(Pt 1):o18-20. doi: 10.1107/S0108270107043296. Epub 2007 Dec 14.
PMID:18216451
Abstract
The crystal structure of the title compound, C18H23NO2, was determined using the experimental library multipolar atom model. The refinement showed a significant improvement of crystallographic statistical indices when compared with a conventional spherical neutral atom refinement.
摘要
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