Linked Life Data

17088630

Source:http://linkedlifedata.com/resource/pubmed/id/17088630

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
pubmed:issue
Pt 11
pubmed:dateCreated
2006-11-7
pubmed:abstractText
The structure of L-valinol [(S)-(+)-2-amino-3-methylbutan-1-ol or hydroxylated L-valine], C5H13NO, has been determined at 100 K by single-crystal X-ray diffraction. The independent atom model geometry, Flack parameter and figures of merit are compared with results from an invariom structure refinement. The latter provides H-atom positions free of independent atom model bias and therefore yields a more accurate hydrogen-bond pattern, and the geometry from invariom refinement shows an improved agreement with results from a quantum chemical geometry optimization.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Nov
pubmed:issn
0108-2701
pubmed:author
pubmed:issnType
Print
pubmed:volume
62
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
o633-5
pubmed:meshHeading
pubmed:year
2006
pubmed:articleTitle
Invariom-model refinement of L-valinol.
pubmed:affiliation
Chemistry M313, School of Biomedical, Biomolecular and Chemical Sciences, University of Western Australia, Crawley, WA 6009, Australia. birger@cyllene.uwa.edu.au
pubmed:publicationType
Journal Article