(5,2'-Dimethyl-5'-oxo-octahydro-[2, 2']bifuranyl-5-yl)-hydroxy-acetic acid ethyl ester

Sample Originator: Simon J. Coles and Michael B. Hursthouse.



Identification Number:10.5258/ecrystals/27
Date Created:09 July 2002
Deposited On:21 Jan 2008 15:27
Deposited By:A.N. Admin

Depositor Comments

The molecular structure of the title compound, C14H22O6, has four chiral centres, for which only the relative configuration has been unequivocally determined. The molecules form a supramolecular array of infinite one-dimensional chains.IUCr BT6248

Data collection parameters

Chemical formulaC14 H22 O6
Crystal morphology
Crystal systemOrthorhombic
Space group symbolPna2(1)
Cell length a9.3133(3)
Cell length b15.4441(4)
Cell length c9.8424(3)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0340
R Factor (All)0.0435
Weighted R Factor (Obs)0.0767
Weighted R Factor (All)0.0810

Citation: Coles, Simon J. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/27)
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