Sample Originator: Terry L. Threlfalla.

Data Collection: Susanne L. Hutha

Structure Determination: Susanne L. Hutha and Michael B. Hursthousea.

University of Southamptona



Identification Number:10.5258/ecrystals/689
Date Created:27 November 2008
Deposited On:02 Apr 2009 19:26
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC13 H10 Br2 N2 O
Crystal morphologyNeedle
Crystal systemOrthorhombic
Space group symbolP 21 21 2
Cell length a11.5691(4)
Cell length b11.5772(4)
Cell length c4.66620(10)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0221
R Factor (Obs)0.0276
R Factor (All)0.0295
Weighted R Factor (Obs)0.0588
Weighted R Factor (All)0.0597

Citation: Huth, Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/689)
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