Sample Originator: Patrick J. Murphya.

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

Structure Determination: Peter N. Hortonb and Simon J. Colesb.

University of North Walesa
University of Southamptonb



Date Created:18 August 2004
Deposited On:08 Nov 2013 16:13
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed. Two of the alkyl chains were partially disordered.

Data collection parameters

Chemical formulaC52 H68 Br4 O4
Crystal morphologyPlate
Crystal systemtriclinic
Space group symbolP-1
Cell length a9.9105(9)
Cell length b13.1978(18)
Cell length c19.491(2)
Cell angle alpha72.837(9)
Cell angle beta87.908(8)
Cell angle gamma84.906(10)
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0424
R Factor (Obs)0.0582
R Factor (All)0.1339
Weighted R Factor (Obs)0.1220
Weighted R Factor (All)0.1477

Citation: Murphy, Patrick J. and Horton, Peter N. and Hursthouse, Michael B. and Coles, Simon J. (2004) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1155/)
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