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C~20~H~32~O~2~ - C20H32O2

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
Date Created:01 December 2005
Deposited On:17 Feb 2010 14:01
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC20 H32 O2
Crystal morphologyNeedle
Crystal systemmonoclinic
Space group symbolC2/c
Cell length a26.6843(11)
Cell length b16.3545(7)
Cell length c8.6878(2)
Cell angle alpha90.00
Cell angle beta98.881(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0519
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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