The Structure of Triketones in the Solid-State. The Crystal-Structure of 1,5-Diphenylpentane-1,3,5-Trione

Autor:	R Cea-Olivares, I Rodriguez, RA Toscano, MJ Rosales
Rok vydání:	1987
Předmět:	Crystallography Chemistry Hydrogen bond Ab initio quantum chemistry methods X-ray crystallography Supramolecular chemistry Physical chemistry Density functional theory Orthorhombic crystal system General Chemistry Keto–enol tautomerism Crystal structure
Zdroj:	Australian Journal of Chemistry. 40:1127
ISSN:	0004-9425
DOI:	10.1071/ch9871127
Popis:	The crystal structure of 1,5-diphenylpentane-1,3,5-trione was determined, C17F14O3, M266.14, orthorhombic, space group Pbca , a 8.602(2), b 10.398(2), c 30.010(10) �, V 2684 14 �3, p(ca1c) 1.317g cm-3, Z 8, F(000) 1120, �(Cu Ka) 6.91 cm-l. The structure was solved by direct methods and refined to a final R value of 0.040 for 1539 unique reflections. The molecules of the compound are found in the dienol form.
Databáze:	OpenAIRE
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