Sample Originator: Donated Samplea.

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

Structure Determination: Susanne L. Huthb.

Sample kindly provided by Maybridgea
University of Southamptonb



Identification Number:10.5258/ecrystals/365
Date Created:07 June 2007
Deposited On:31 Jan 2008 13:11
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 formulaC9 H10 O3
Crystal morphologyCut Rod
Crystal systemTetragonal
Space group symbolI4(1)/a
Cell length a22.5496(4)
Cell length b22.5496(4)
Cell length c6.3581(2)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0572
R Factor (Obs)0.0467
R Factor (All)0.0720
Weighted R Factor (Obs)0.1089
Weighted R Factor (All)0.1221

Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/365)
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