Sample Originator: Terry L. Threlfalla.
Data Collection: Susanne L. Coles (née Huth)a
Structure Determination: Susanne L. Coles (née Huth)a and Michael B. Hursthousea.
University of Southamptona
C11H15NO
InChI=1/C11H15NO/c1-8(2)10-4-6-11(7-5-10)12-9(3)13/h4-8H,1-3H3,(H,12,13)
| Identification Number: | 10.5258/ecrystals/1397 |
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| Date Created: | 27 October 2008 |
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| Deposited On: | 30 Mar 2011 21:22 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C11 H15 N O |
| Crystal morphology | Fragment |
| Crystal system | Monoclinic |
| Space group symbol | P21/c |
| Cell length a | 14.0052(4) |
| Cell length b | 9.3488(3) |
| Cell length c | 7.8095(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.711(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0309 |
| R Factor (Obs) | 0.0391 |
| R Factor (All) | 0.0476 |
| Weighted R Factor (Obs) | 0.0936 |
| Weighted R Factor (All) | 0.0990 |
Citation: Coles (née Huth), Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1397)
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