Sample Originator: Paul (J.P) Bassina.

Data Collection: Mark E. Lightb and Michael B. Hursthouseb

Structure Determination: Mark E. Lightb.

University of Hertfordshirea
University of Southamptonb



Controlled Keywords:benzodiazepinic ligands
Date Created:24 March 2003
Deposited On:16 Feb 2010 12:46
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were placed in idealised positions and refined using a riding model. One end of molecule is disordered.

Data collection parameters

Chemical formulaC24 H21 Br N2 O4 S
Crystal morphology
Crystal systemMonoclinic
Space group symbolP21/c
Cell length a10.4834(4)
Cell length b16.5076(7)
Cell length c12.7374(3)
Cell angle alpha90.00
Cell angle beta96.520(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0424
R Factor (All)0.0714
Weighted R Factor (Obs)0.1026
Weighted R Factor (All)0.1143

Citation: Bassin, Paul (J.P) and Light, Mark E. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1213/)
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