Sample Originator: Anna K. Crofta.

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

Structure Determination: Peter N. Hortonb.

University of Wales, Bangora
University of Southamptonb



Controlled Keywords:protein interactions, aromatic organic compounds
Date Created:08 April 2005
Deposited On:17 Feb 2010 13:27
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC17 H13 Br N2 O4
Crystal morphologyCut Blade
Crystal systemmonoclinic
Space group symbolC2/c
Cell length a18.884(5)
Cell length b9.725(3)
Cell length c18.447(3)
Cell angle alpha90.00
Cell angle beta112.90(3)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0464
R Factor (Obs)0.0898
R Factor (All)0.1506
Weighted R Factor (Obs)0.1724
Weighted R Factor (All)0.1940

Citation: Croft, Anna K. and Horton, Peter N. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1115/)
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