Sample Originator: Michael B. Hursthouse and Mark E. Light.
C15H19FO4
InChI=1/2C15H19FO4/c2*1-15(2,19)12-8-7-11(20-12)14(18)13(17)9-3-5-10(16)6-4-9/h2*3-6,11-12,14,18-19H,7-8H2,1-2H3/t2*11-,12+,14+/m10/s1
| Identification Number: | 10.5258/ecrystals/121 |
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| Date Created: | 13 August 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 asymmetric unit of the title compound, C15H19FO4, contains two independent molecules that hydrogen bond to form dimers.
Data collection parameters
| Chemical formula | C15 H19 F O4 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | Pna2(1) |
| Cell length a | 10.973(2) |
| Cell length b | 12.764(3) |
| Cell length c | 20.721(4) |
| 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 | 0.0647 |
| R Factor (Obs) | 0.0452 |
| R Factor (All) | 0.1088 |
| Weighted R Factor (Obs) | 0.1013 |
| Weighted R Factor (All) | 0.1305 |
Citation: Hursthouse, Michael B. and Light, Mark E. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/121)
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