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A Case Study in Direct-Space Structure Determination from Powder X-ray Diffraction Data: Finding the Hydrate Structure of an Organic Molecule with Significant Conformational Flexibility †

✍ Scribed by Pan, Zhigang; Cheung, Eugene Y.; Harris, Kenneth D. M.; Constable, Edwin C.; Housecroft, Catherine E.

Book ID
120551535
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
240 KB
Volume
5
Category
Article
ISSN
1528-7483

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A structural study of polymorphism in phenyl salicylate: determination of the crystal structure of a meta-stable phase from X-ray powder diffraction data using a direct space systematic search method
✍ Hammond, R. B.; Jones, M. J.; Roberts, K. J.; Kutzke, H.; Klapper, H. 📂 Article 📅 2002 🏛 Oldenbourg Wissenschaftsverlag 🌐 English ⚖ 164 KB

## Abstract In this paper we report the crystal structure solution of a meta-stable phase of phenyl salicylate (salol). This modification, which is obtained from a super-cooled melt, has been observed before, but the structure has not been previously determined. Structure solution was achieved by a