Sample Originator: Michael B. Hursthouse and Mark E. Light.
C15H20O4
InChI=1/C15H20O4/c1-15(2,18)12-9-8-11(19-12)14(17)13(16)10-6-4-3-5-7-10/h3-7,11-12,14,17-18H,8-9H2,1-2H3/t11-,12+,14+/m1/s1
| Identification Number: | 10.5258/ecrystals/110 |
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| Date Created: | 26 March 2001 |
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| Deposited On: | 21 Jan 2008 15:29 |
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| Deposited By: | A.N. Admin |
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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 formula | C15 H20 O4 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 7.5556(3) |
| Cell length b | 8.0446(3) |
| Cell length c | 22.9549(8) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | 0.0593 |
| 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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