Sample Originator: Esther Rousaya and Jeremy G. Freya.

Data Collection: Simon J. Colesa

Structure Determination: Simon J. Colesa and Michael B. Hursthousea.

University of Southamptona



Identification Number:10.5258/ecrystals/145
Controlled Keywords:crown ethers, crown
Date Created:07 October 2004
Deposited On:21 Jan 2008 15:29
Deposited By:Dr Simon J Coles

Depositor Comments

Structure already known, but accurately redetermined for a local research project.

Data collection parameters

Chemical formulaC14 H20 O5
Crystal morphologyPlate
Crystal systemOrthorhombic
Space group symbolPbca
Cell length a16.4963(18)
Cell length b8.325(3)
Cell length c20.061(6)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0409
R Factor (Obs)0.0487
R Factor (All)0.0977
Weighted R Factor (Obs)0.1008
Weighted R Factor (All)0.1192

Citation: Rousay, Esther and Frey, Jeremy G. and Coles, Simon J. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/145)
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