Sample Originator: Donated Samplea.

Data Collection: Michael B. Hursthouseb and Susanne. L. Huthb

Structure Determination: Susanne. L. Huthb and J. Withnellb.

Sample kindly provided by Maybridgea
University of Southamptonb



Identification Number:10.5258/ecrystals/282
Date Created:07 February 2007
Deposited On:21 Jan 2008 15:31
Deposited By:Mrs L. Susanne Coles (née) Huth

Depositor Comments

More information about this compound can be found at: http://www.maybridge.com/

Data collection parameters

Chemical formulaC10 H11 N3 O
Crystal morphologyRod
Crystal systemOrthorhombic
Space group symbolPnn2
Cell length a12.7013(4)
Cell length b16.5159(6)
Cell length c4.31640(10)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0473
R Factor (Obs)0.0329
R Factor (All)0.0424
Weighted R Factor (Obs)0.0785
Weighted R Factor (All)0.0829

Citation: Sample, Donated and Hursthouse, Michael B. and Huth, Susanne. L. and Withnell, J. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/282)
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