Sample Originator: Terry L. Threlfalla.
Data Collection: Susanne L. Hutha
Structure Determination: Susanne L. Hutha and Michael B. Hursthousea.
University of Southamptona
C15H16N2O3
InChI=1/C15H16N2O3/c1-19-13-7-3-5-11(9-13)16-15(18)17-12-6-4-8-14(10-12)20-2/h3-10H,1-2H3,(H2,16,17,18)
| Identification Number: | 10.5258/ecrystals/684 |
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| Date Created: | 09 October 2008 |
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| Deposited On: | 03 Apr 2009 10:28 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C15 H16 N2 O3 |
| Crystal morphology | Slab |
| Crystal system | Orthorhombic |
| Space group symbol | Pna21 |
| Cell length a | 10.0265(3) |
| Cell length b | 4.5597(2) |
| Cell length c | 29.0659(11) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0522 |
| R Factor (Obs) | 0.0433 |
| R Factor (All) | 0.0548 |
| Weighted R Factor (Obs) | 0.1081 |
| Weighted R Factor (All) | 0.1155 |
Citation: Huth, Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/684)
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