Sample Originator: Kenneth J Wooda, M Fronckowiaka and William L Duaxa.
Data Collection: Kenneth J Wooda, M Fronckowiaka and William L Duaxa
Structure Determination: Kenneth J Wooda, M Fronckowiaka, William L Duaxa, Michael B. Hursthouseb, Steven J. Lamondb and Luke Surplice.
State University of New York at Buffaloa
University of Southamptonb
C18H24O2
InChI=1/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-16H,2-9H2,1H3/t13-,14+,15+,16-,18-/m0/s1
| Identification Number: | 10.5258/ecrystals/1231 |
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| Controlled Keywords: | X-ray crystallography of steroids, steroid compounds |
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| Date Created: | 19 December 1987 |
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| Deposited On: | 18 Dec 2009 10:57 |
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| Deposited By: | Professor Mike Hursthouse |
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Depositor Comments
Data recovered by Southampton group from paper archive provided by original authors using Optical Character Recognition software. Original sample reference #AN8809.
Data collection parameters
| Chemical formula | C18 H24 O2 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 7.2921(15) |
| Cell length b | 8.0475(16) |
| Cell length c | 26.378(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 273(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0967 |
| R Factor (All) | 0.1015 |
| Weighted R Factor (Obs) | 0.4215 |
| Weighted R Factor (All) | 0.4262 |
Citation: Wood, Kenneth J and Fronckowiak, M and Duax, William L and Hursthouse, Michael B. and Lamond, Steven J. and Surplice, Luke (1987) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1231)
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