2009src0189 - C12H8N2O4

Sample Originator: Peter J. Hollimana.

Data Collection: Samantha K. Callearb and Michael B. Hursthouseb

Structure Determination: Samantha K. Callearb.

University of Wales, Bangora
University of Southamptonb


Identification Number:10.5258/ecrystals/650
Date Created:26 February 2009
Deposited On:09 Apr 2009 10:50
Deposited By:Dr Samantha K Callear

Data collection parameters

Chemical formulaC12 H8 N2 O4
Crystal morphologyBlock
Crystal systemtriclinic
Space group symbolP-1
Cell length a7.7644(2)
Cell length b8.7396(3)
Cell length c9.6184(3)
Cell angle alpha108.0280(10)
Cell angle beta96.346(2)
Cell angle gamma107.648(2)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0439
R Factor (All)0.0544
Weighted R Factor (Obs)0.1133
Weighted R Factor (All)0.1206

Citation: Holliman, Peter J. and Callear, Samantha K. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/650)
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