Sample Originator: Michael B. Hursthouse and Mark E. Light.



Identification Number:10.5258/ecrystals/110
Date Created:26 March 2001
Deposited On:21 Jan 2008 15:29
Deposited By:A.N. Admin

Depositor Comments

The molecules of the title compound, C15H20O4, link via a single intermolecular hydrogen bond to form chains running along the b axis.

Data collection parameters

Chemical formulaC15 H20 O4
Crystal morphology
Crystal systemOrthorhombic
Space group symbolP2(1)2(1)2(1)
Cell length a7.5556(3)
Cell length b8.0446(3)
Cell length c22.9549(8)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit0.0593
R Factor (Obs)0.0507
R Factor (All)0.0565
Weighted R Factor (Obs)0.1298
Weighted R Factor (All)0.1368

Citation: Hursthouse, Michael B. and Light, Mark E. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/110)
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