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3-benzyl-6-ethyl-7-(hydroxymethyl)-1,8-dioxa-4-azacycloundecane-5,9,11-trione

Sample Originator: Charles M. Marsona.

Data Collection: Simon J. Colesb and Michael B. Hursthouseb

Structure Determination: Simon J. Colesb.

University College Londona
University of Southamptonb

C18H23NO6

InChI=1/C18H23NO6/c1-2-14-15(10-20)25-17(22)9-16(21)24-11-13(19-18(14)23)8-12-6-4-3-5-7-12/h3-7,13-15,20H,2,8-11H2,1H3,(H,19,23)/t13-,14-,15+/m1/s1

Controlled Keywords:nitrogen compounds, heterocycles
Date Created:30 November 2004
Deposited On:23 Dec 2014 09:51
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC18 H23 N O6
Crystal morphologyBlade
Crystal systemMonoclinic
Space group symbolP2(1)
Cell length a8.713(4)
Cell length b6.582(4)
Cell length c15.739(7)
Cell angle alpha90.00
Cell angle beta101.70(5)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0570
R Factor (All)0.0811
Weighted R Factor (Obs)0.0983
Weighted R Factor (All)0.1043

Citation: Marson, Charles M. and Coles, Simon J. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/892/)
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