5-(2-Furyl)isoxazole-3-carboxylic acid

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

(C8H5NO4) . (H2O)


Identification Number:10.5258/ecrystals/372
Date Created:08 June 2007
Deposited On:31 Jan 2008 13:08
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 formulaC8 H7 N O5
Crystal morphologyPlate
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a11.2506(4)
Cell length b7.8725(4)
Cell length c10.5817(4)
Cell angle alpha90.00
Cell angle beta115.098(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0409
R Factor (Obs)0.0724
R Factor (All)0.1231
Weighted R Factor (Obs)0.1192
Weighted R Factor (All)0.1428

Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/372)
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