2008src0227 - C22H12S3

Sample Originator: Peter J. Skabarab.

Data Collection: Simon J. Colesa

Structure Determination: Simon J. Colesa and Michael B. Hursthousea.

University of Southamptona
University of Strathclydeb



Identification Number:10.5258/ecrystals/407
Date Created:08 May 2008
Deposited On:08 May 2008 23:15
Deposited By:Dr Simon J Coles

Data collection parameters

Chemical formulaC22 H12 S3
Crystal morphologyNeedle
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a15.8475(14)
Cell length b15.8514(14)
Cell length c6.9724(4)
Cell angle alpha90.00
Cell angle beta98.498(6)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0469
R Factor (Obs)0.1079
R Factor (All)0.1583
Weighted R Factor (Obs)0.2576
Weighted R Factor (All)0.2819

Citation: Coles, Simon J. and Hursthouse, Michael B. and Skabara, Peter J. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/407)
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