Sample Originator: Nick Greevesa.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
Liverpool Universitya
University of Southamptonb
C18H26O
InChI=1/C18H26O/c1-7-16(12(2)3)17(8-9-19)18-14(5)10-13(4)11-15(18)6/h7,9-12,16-17H,1,8H2,2-6H3/t16-,17+/m0/s1
| Controlled Keywords: | conformational change, stereochemistry |
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| Date Created: | 30 November 2005 |
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| Deposited On: | 17 Feb 2010 13:59 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C18 H26 O |
| Crystal morphology | Slab |
| Crystal system | monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 7.8292(3) |
| Cell length b | 8.3124(4) |
| Cell length c | 24.1663(9) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 99.150(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0382 |
| R Factor (Obs) | 0.0480 |
| R Factor (All) | 0.0659 |
| Weighted R Factor (Obs) | 0.1070 |
| Weighted R Factor (All) | 0.1155 |
Citation: Greeves, Nick and Horton, Peter N. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1125/)
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