C~21~H~22~O~2~ - C21H22O2

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:enzyme structure, catalysis, amino acids
Date Created:12 January 2005
Deposited On:08 Nov 2013 16:09
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed. There was some disorder within the crystal.

Data collection parameters

Chemical formulaC21 H22 O2
Crystal morphologyRod
Crystal systemtriclinic
Space group symbolP-1
Cell length a6.252(2)
Cell length b9.968(8)
Cell length c14.606(6)
Cell angle alpha70.840(7)
Cell angle beta85.920(6)
Cell angle gamma72.330(6)
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0384
R Factor (Obs)0.0792
R Factor (All)0.1431
Weighted R Factor (Obs)0.1531
Weighted R Factor (All)0.1754

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/1113/)
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