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2009src0113 - C16H17FN4O

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

C16H17FN4O

InChI=1/C16H17FN4O/c17-13-3-1-12(2-4-13)16(22)21-9-7-20(8-10-21)15-6-5-14(18)11-19-15/h1-6,11H,7-10,18H2

Identification Number:10.5258/ecrystals/647
Date Created:23 February 2009
Deposited On:09 Apr 2009 10:53
Deposited By:Dr Samantha K Callear

Data collection parameters

Chemical formulaC16 H17 F N4 O
Crystal morphologyLath
Crystal systemmonoclinic
Space group symbolP21/c
Cell length a15.8650(12)
Cell length b5.6205(4)
Cell length c16.4742(12)
Cell angle alpha90.00
Cell angle beta106.779(4)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.1116
R Factor (All)0.1999
Weighted R Factor (Obs)0.1760
Weighted R Factor (All)0.2139

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/647)
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