2008src0842 (CMS-A) - C21H19NO5S

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/591
Controlled Keywords:heterocycles, amides
Date Created:15 July 2008
Deposited On:15 Aug 2008 11:24
Deposited By:Dr Peter N Horton

Data collection parameters

Chemical formulaC21 H19 N O5 S
Crystal morphologyCut Block
Crystal systemtriclinic
Space group symbolP-1
Cell length a9.5497(4)
Cell length b10.3189(4)
Cell length c11.1034(4)
Cell angle alpha104.436(2)
Cell angle beta107.828(2)
Cell angle gamma104.170(2)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0427
R Factor (All)0.0626
Weighted R Factor (Obs)0.1008
Weighted R Factor (All)0.1126

Citation: McDonald, E and Horton, Peter N. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/591)
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