((E)-2-Benzenesulfonyl-2-cyano-vinyloxy)-acetic acid ethyl ester

Sample Originator: E McDonalda.

Data Collection: Peter N. Hortonb

Structure Determination: Peter N. Hortonb and Michael B. Hursthouseb.

Institute of Cancer Researcha
University of Southamptonb



Identification Number:10.5258/ecrystals/288
Controlled Keywords:organic compounds
Date Created:09 February 2007
Deposited On:19 May 2008 11:32
Deposited By:Dr Peter N Horton

Data collection parameters

Chemical formulaC13 H13 N O5 S
Crystal morphologyNeedle
Crystal systemmonoclinic
Space group symbolP2(1)/n
Cell length a15.8005(6)
Cell length b5.17630(10)
Cell length c16.9786(6)
Cell angle alpha90.00
Cell angle beta99.723(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0965
R Factor (Obs)0.0566
R Factor (All)0.0722
Weighted R Factor (Obs)0.1070
Weighted R Factor (All)0.1168

Citation: McDonald, E and Horton, Peter N. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/288)
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