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04SRC995 - C18H22O2

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
Controlled Keywords:catalysis
Date Created:11 November 2004
Deposited On:23 Dec 2014 09:37
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC18 H22 O2
Crystal morphologyBlock
Crystal systemmonoclinic
Space group symbolP2(1)/n
Cell length a10.8714(17)
Cell length b10.9150(8)
Cell length c13.574(3)
Cell angle alpha90.00
Cell angle beta111.897(15)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0406
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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