Sample Originator: G. Perona.
Data Collection: Thomas Gelbricha
Structure Determination: Thomas Gelbricha.
University of Southamptona
C13H22O2
InChI=1/C13H22O2/c1-9-11(14)8-10-6-4-5-7-13(10,15)12(9,2)3/h10-11,14-15H,1,4-8H2,2-3H3/t10-,11+,13-/m1/s1
| Identification Number: | 10.5258/ecrystals/404 |
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| Date Created: | 24 March 2000 |
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| Deposited On: | 18 Apr 2008 14:33 |
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| Deposited By: | Dr Thomas Gelbrich |
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Data collection parameters
| Chemical formula | C13 H22 O2 |
| Crystal morphology | |
| Crystal system | monoclinic |
| Space group symbol | P21/n |
| Cell length a | 8.9541(2) |
| Cell length b | 7.1843(2) |
| Cell length c | 19.1662(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 98.1620(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 296(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0490 |
| R Factor (All) | 0.1003 |
| Weighted R Factor (Obs) | 0.1011 |
| Weighted R Factor (All) | 0.1134 |
Citation: Gelbrich, Thomas and Peron, G. and Hursthouse, Michael B. and Kilburn, Jeremy D. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/404)
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