C~28~H~27~NO~3~S - C28H27NO3S

Sample Originator: Chris D. Gabbutta.

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

Structure Determination: Peter N. Hortonb.

University of Leedsa
University of Southamptonb



Controlled Keywords:bioinorganic compounds
Date Created:09 July 2004
Deposited On:16 Feb 2010 16:01
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed.

Data collection parameters

Chemical formulaC28 H27 N O3 S
Crystal morphologyShard
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a13.7943(9)
Cell length b12.3387(7)
Cell length c13.7156(8)
Cell angle alpha90.00
Cell angle beta90.203(4)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0902
R Factor (Obs)0.0460
R Factor (All)0.0660
Weighted R Factor (Obs)0.0943
Weighted R Factor (All)0.1014

Citation: Gabbutt, Chris D. and Horton, Peter N. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1122/)
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