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/c1-19-13-7-3-11(4-8-13)16-15(18)17-12-5-9-14(20-2)10-6-12/h3-10,16-17H,1-2H3/q-1
| Identification Number: | 10.5258/ecrystals/680 |
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| Date Created: | 07 July 2008 |
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| Deposited On: | 03 Apr 2009 11:32 |
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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 | Cut Plate |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 9.2339(3) |
| Cell length b | 11.9540(4) |
| Cell length c | 13.4630(4) |
| Cell angle alpha | 64.502(2) |
| Cell angle beta | 87.652(2) |
| Cell angle gamma | 76.670(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0326 |
| R Factor (Obs) | 0.0731 |
| R Factor (All) | 0.1118 |
| Weighted R Factor (Obs) | 0.1284 |
| Weighted R Factor (All) | 0.1485 |
Citation: Huth, Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/680)
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