C~21~H~18~O~2~S~2~ - C21H18O2S2

Sample Originator: Chris D. Gabbutta.

Data Collection: Peter N. Hortonb and Michael B. Hursthouseb

Structure Determination: Peter N. Hortonb.

University of Leedsa
University of Southamptonb



Controlled Keywords:heterocycles
Date Created:18 February 2005
Deposited On:24 Feb 2010 12:00
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed. There was some disorder involving both the thiophene rings.

Data collection parameters

Chemical formulaC21 H18 O2 S2
Crystal morphologyRod
Crystal systemmonoclinic
Space group symbolP2(1)/n
Cell length a11.554(2)
Cell length b9.2919(17)
Cell length c17.255(2)
Cell angle alpha90.00
Cell angle beta102.194(12)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0664
R Factor (All)0.0908
Weighted R Factor (Obs)0.1163
Weighted R Factor (All)0.1232

Citation: Gabbutt, Chris D. and Horton, Peter N. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1054/)
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