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2009src0063 - C15H15FN4O

Sample Originator: John Spencera and Hiren Patela.

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

Structure Determination: Samantha K. Callearb.

University of Greenwicha
University of Southamptonb

C15H15FN4O

InChI=1/C15H15FN4O/c16-13-4-2-12(3-5-13)14(21)19-8-10-20(11-9-19)15-17-6-1-7-18-15/h1-7H,8-11H2

Identification Number:10.5258/ecrystals/635
Date Created:02 February 2009
Deposited On:09 Apr 2009 11:06
Deposited By:Dr Samantha K Callear

Data collection parameters

Chemical formulaC15 H15 F N4 O
Crystal morphologyBlock
Crystal systemorthorhombic
Space group symbolP212121
Cell length a6.1453(2)
Cell length b7.8485(2)
Cell length c27.6153(8)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0467
R Factor (All)0.0550
Weighted R Factor (Obs)0.0887
Weighted R Factor (All)0.0938

Citation: Spencer, John and Patel, Hiren and Callear, Samantha K. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/635)
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