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/371
Date Created:08 June 2007
Deposited On:31 Jan 2008 13:09
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 H5 N O3
Crystal morphologyPrism
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a8.1628(3)
Cell length b7.9648(3)
Cell length c11.0496(4)
Cell angle alpha90.00
Cell angle beta95.230(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0536
R Factor (Obs)0.0377
R Factor (All)0.0430
Weighted R Factor (Obs)0.0923
Weighted R Factor (All)0.0978

Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/371)
Export as: oreChem EndNote BibTeX ASCII Citation

Repository Staff Only: item control page