Sample Originator: Donated Samplea.

Data Collection: Michael B. Hursthouseb, Susanne. L. Huthb and J. Withnellb

Structure Determination: Susanne. L. Huthb and J. Withnellb.

Sample kindly provided by Maybridgea
University of Southamptonb



Identification Number:10.5258/ecrystals/264
Date Created:30 January 2007
Deposited On:21 Jan 2008 15:31
Deposited By:Mrs L. Susanne Coles (née) Huth

Depositor Comments

More information about this compound can be found in the catalogue at: http://www.maybridge.com/

Data collection parameters

Chemical formulaC7 H8 O3 S
Crystal morphologyCut Needle
Crystal systemOrthorhombic
Space group symbolP2(1)2(1)2(1)
Cell length a4.95100(10)
Cell length b7.8949(3)
Cell length c18.7417(7)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0439
R Factor (Obs)0.0312
R Factor (All)0.0358
Weighted R Factor (Obs)0.0657
Weighted R Factor (All)0.0683

Citation: Sample, Donated and Hursthouse, Michael B. and Huth, Susanne. L. and Withnell, J. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/264)
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