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 |
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Date Created: | 30 November 2004 |
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Deposited On: | 23 Dec 2014 09:51 |
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Deposited By: | Mr Steve Lamond |
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Data collection parameters
Chemical formula | C18 H23 N O6 |
Crystal morphology | Blade |
Crystal system | Monoclinic |
Space group symbol | P2(1) |
Cell length a | 8.713(4) |
Cell length b | 6.582(4) |
Cell length c | 15.739(7) |
Cell angle alpha | 90.00 |
Cell angle beta | 101.70(5) |
Cell angle gamma | 90.00 |
Data collection temperature | 120(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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