Sample Originator: Ian R. Butlera.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
University of Wales, Bangora
University of Southamptonb
C18H22O2
InChI=1/C18H22O2/c1-13(2)12-18(3,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,13,19-20H,12H2,1-3H3
| Identification Number: | 10.5258/ecrystals/924 |
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| Controlled Keywords: | catalysis |
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| Date Created: | 11 November 2004 |
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| Deposited On: | 23 Dec 2014 09:37 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C18 H22 O2 |
| Crystal morphology | Block |
| Crystal system | monoclinic |
| Space group symbol | P2(1)/n |
| Cell length a | 10.8714(17) |
| Cell length b | 10.9150(8) |
| Cell length c | 13.574(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 111.897(15) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0406 |
| R Factor (Obs) | 0.0417 |
| R Factor (All) | 0.0486 |
| Weighted R Factor (Obs) | 0.0976 |
| Weighted R Factor (All) | 0.1017 |
Citation: Butler, Ian R. and Horton, Peter N. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/924)
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