Sample Originator: Ian Collinsa and Lynette A. Smytha.

Data Collection: Peter N. Hortonb

Structure Determination: Peter N. Hortonb and Michael B. Hursthouseb.

Institute of Cancer Researcha
University of Southamptonb



Identification Number:10.5258/ecrystals/444
Controlled Keywords:crystal structures of small organic molecules
Date Created:03 June 2008
Deposited On:29 Jan 2010 15:21
Deposited By:Dr Peter N Horton

Depositor Comments

User Refcode:- LAS-1163-147

Data collection parameters

Chemical formulaC18 H14 N4 O
Crystal morphologySlab
Crystal systemorthorhombic
Space group symbolPbca
Cell length a14.7295(4)
Cell length b14.7023(4)
Cell length c26.7711(8)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0482
R Factor (Obs)0.0654
R Factor (All)0.0912
Weighted R Factor (Obs)0.1202
Weighted R Factor (All)0.1346

Citation: Collins, Ian and Smyth, Lynette A. and Horton, Peter N. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/444)
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