2009src0647 - C46H58Br2S3

Sample Originator: Peter J. Skabarab, Irina Afoninab and Alexander Kanibolotskyb.

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/716
Date Created:14 June 2009
Deposited On:14 Jun 2009 21:32
Deposited By:Dr Simon J Coles

Data collection parameters

Chemical formulaC46 H58 Br2 S3
Crystal morphologyBlade
Crystal systemMonoclinic
Space group symbolP2(1)/n
Cell length a11.3163(3)
Cell length b11.8126(2)
Cell length c33.2617(7)
Cell angle alpha90.00
Cell angle beta99.3500(10)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0571
R Factor (Obs)0.0520
R Factor (All)0.0762
Weighted R Factor (Obs)0.1138
Weighted R Factor (All)0.1255

Citation: Coles, Simon J. and Hursthouse, Michael B. and Skabara, Peter J. and Afonina, Irina and Kanibolotsky, Alexander (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/716)
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