Sample Originator: Peter J. Skabaraa.

Data Collection: Simon J. Colesb and Michael B. Hursthouseb

Structure Determination: Simon J. Colesb.

University of Strathclydea
University of Southamptonb



Controlled Keywords:organic compounds
Date Created:08 May 2002
Deposited On:16 Feb 2010 13:53
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC22 H22 O4 S3
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a8.6143(2)
Cell length b8.8758(2)
Cell length c13.8928(4)
Cell angle alpha77.3640(10)
Cell angle beta85.6280(10)
Cell angle gamma79.319(2)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0411
R Factor (All)0.0458
Weighted R Factor (Obs)0.1106
Weighted R Factor (All)0.1142

Citation: Skabara, Peter J. and Coles, Simon J. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1157/)
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