Sample Originator: Terry L. Threlfalla.
Data Collection: Susanne L. Hutha
Structure Determination: Susanne L. Hutha and Michael B. Hursthousea.
University of Southamptona
C15H16N2O
InChI=1/C15H16N2O/c1-11-5-3-7-13(9-11)16-15(18)17-14-8-4-6-12(2)10-14/h3-10,16-17H,1-2H3/q-1
| Identification Number: | 10.5258/ecrystals/688 |
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| Date Created: | 26 November 2008 |
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| Deposited On: | 03 Apr 2009 11:03 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C15 H16 N2 O |
| Crystal morphology | Cut Needle |
| Crystal system | Orthorhombic |
| Space group symbol | P 21 21 2 |
| Cell length a | 9.5899(10) |
| Cell length b | 14.5337(14) |
| Cell length c | 4.6028(3) |
| 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 | 0.0378 |
| R Factor (Obs) | 0.0465 |
| R Factor (All) | 0.0632 |
| Weighted R Factor (Obs) | 0.1044 |
| Weighted R Factor (All) | 0.1137 |
Citation: Huth, Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/688)
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