Sample Originator: Donated Samplea.

Data Collection: Michael B. Hursthouseb and Susanne. L. Huthb

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

Sample kindly provided by Maybridgea
University of Southamptonb



Identification Number:10.5258/ecrystals/277
Date Created:15 February 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 at: http://www.maybridge.com

Data collection parameters

Chemical formulaC7 H6 O3 S
Crystal morphologyLath
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a10.0118(8)
Cell length b4.3353(3)
Cell length c16.6170(14)
Cell angle alpha90.00
Cell angle beta106.290(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.1188
R Factor (Obs)0.0727
R Factor (All)0.0913
Weighted R Factor (Obs)0.1614
Weighted R Factor (All)0.1854

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/277)
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