Sample Originator: Nick Greevesa.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
Liverpool Universitya
University of Southamptonb
C20H32O2
InChI=1/C20H32O2/c1-7-18(13(2)3)19(12-17(22)8-9-21)20-15(5)10-14(4)11-16(20)6/h7,10-11,13,17-19,21-22H,1,8-9,12H2,2-6H3/t17-,18-,19+/m1/s1
| Controlled Keywords: | conformational change, stereochemistry |
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| Date Created: | 01 December 2005 |
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| Deposited On: | 17 Feb 2010 14:01 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C20 H32 O2 |
| Crystal morphology | Needle |
| Crystal system | monoclinic |
| Space group symbol | C2/c |
| Cell length a | 26.6843(11) |
| Cell length b | 16.3545(7) |
| Cell length c | 8.6878(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 98.881(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0519 |
| R Factor (Obs) | 0.0914 |
| R Factor (All) | 0.1435 |
| Weighted R Factor (Obs) | 0.1113 |
| Weighted R Factor (All) | 0.1244 |
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/1127/)
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