C~18~H~17~N~3~O~4~ - C18H17N3O4

Sample Originator: Chris D. Gabbutta.

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

Structure Determination: Peter N. Hortonb.

University of Leedsa
University of Southamptonb



Controlled Keywords:heterocycles
Date Created:20 August 2002
Deposited On:16 Feb 2010 14:41
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed.

Data collection parameters

Chemical formulaC18 H17 N3 O4
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a11.2728(5)
Cell length b12.4398(6)
Cell length c13.0398(8)
Cell angle alpha65.856(2)
Cell angle beta82.077(2)
Cell angle gamma86.293(2)
Data collection temperature120(2)

Refinement results

Solution figure of merit0.1779
R Factor (Obs)0.1218
R Factor (All)0.2614
Weighted R Factor (Obs)0.3181
Weighted R Factor (All)0.3761

Citation: Gabbutt, Chris D. and Horton, Peter N. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1118/)
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