Sample Originator: Caroline J. Springera, Bart M. J. M. Suijkerbuijka and Lawrence Daviesa.

Data Collection: Peter N. Hortonb

Structure Determination: Peter N. Hortonb and Michael B. Hursthouseb.

Institute of Cancer Researcha
University of Southamptonb



Identification Number:10.5258/ecrystals/1270
Controlled Keywords:crystal structures of small organic molecules, hydrogen bonding, hydrates
Date Created:03 October 2007
Deposited On:23 Apr 2010 11:00
Deposited By:Dr Peter N Horton

Depositor Comments

User refcode:- BS037

Data collection parameters

Chemical formulaC13 H11 F N4 O3
Crystal morphologyStacked Sheet
Crystal systemmonoclinic
Space group symbolP2(1)/c
Cell length a6.9077(8)
Cell length b24.201(3)
Cell length c7.7428(7)
Cell angle alpha90.00
Cell angle beta100.062(6)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0550
R Factor (Obs)0.0919
R Factor (All)0.1575
Weighted R Factor (Obs)0.1507
Weighted R Factor (All)0.1822

Citation: Springer, Caroline J. and Suijkerbuijk, Bart M. J. M. and Davies, Lawrence and Horton, Peter N. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1270)
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