02src009 - C12H19BrN2O

Sample Originator: Craig Buttsa.

Data Collection: Peter N. Hortonb and Michael B. Hursthouseb

Structure Determination: Peter N. Hortonb.

University of Exetera
University of Southamptonb



Identification Number:10.5258/ecrystals/946
Controlled Keywords:chirality, heterocycles
Date Created:18 January 2002
Deposited On:23 Oct 2009 17:24
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC12 H19 Br N2 O
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/n
Cell length a5.1010(2)
Cell length b18.7081(8)
Cell length c13.7459(7)
Cell angle alpha90.00
Cell angle beta90.676(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0488
R Factor (Obs)0.0387
R Factor (All)0.0527
Weighted R Factor (Obs)0.0920
Weighted R Factor (All)0.0998

Citation: Butts, Craig and Horton, Peter N. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/946)
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