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2009src0112 - C16H23N4O

Sample Originator: John Spencera and Hiren Patela.

Data Collection: Samantha K. Callearb

Structure Determination: Samantha K. Callearb.

University of Greenwicha
University of Southamptonb

C16H23N4O

InChI=1/C12H18N4O.C7H16.3CH4.3H2/c1-2-12(17)16-7-5-15(6-8-16)11-4-3-10(13)9-14-11;1-3-5-7-6-4-2;;;;;;/h3-4,9H,2,5-8,13H2,1H3;3-7H2,1-2H3;3*1H4;3*1H

Identification Number:10.5258/ecrystals/646
Date Created:23 February 2009
Deposited On:24 Feb 2010 16:07
Deposited By:Dr Samantha K Callear

Data collection parameters

Chemical formulaC16 H23 N4 O
Crystal morphologyBlock
Crystal systemmonoclinic
Space group symbolP21/n
Cell length a10.5278(5)
Cell length b5.3937(2)
Cell length c27.1476(14)
Cell angle alpha90.00
Cell angle beta94.292(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0782
R Factor (All)0.1102
Weighted R Factor (Obs)0.1535
Weighted R Factor (All)0.1734

Citation: Spencer, John and Patel, Hiren and Callear, Samantha K. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/646)
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