2009src0459 - C10H13N3O

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



Identification Number:10.5258/ecrystals/706
Date Created:27 April 2009
Deposited On:15 Nov 2009 18:42
Deposited By:Dr Samantha K Callear

Data collection parameters

Chemical formulaC10 H13 N3 O
Crystal morphologyBlock
Crystal systemtriclinic
Space group symbolP-1
Cell length a5.4433(2)
Cell length b6.1440(3)
Cell length c15.5205(7)
Cell angle alpha87.696(3)
Cell angle beta84.420(3)
Cell angle gamma70.454(2)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0591
R Factor (All)0.0797
Weighted R Factor (Obs)0.1184
Weighted R Factor (All)0.1309

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/706)
Export as: oreChem EndNote BibTeX ASCII Citation

Repository Staff Only: item control page