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
C12H17NO2
InChI=1/C12H17NO2/c1-3-4-9-15-12-7-5-11(6-8-12)13-10(2)14/h5-8H,3-4,9H2,1-2H3,(H,13,14)
| Identification Number: | 10.5258/ecrystals/1402 |
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| Date Created: | 23 July 2009 |
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| Deposited On: | 30 Mar 2011 21:13 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C12 H17 N O2 |
| Crystal morphology | Cut Block |
| Crystal system | Monoclinic |
| Space group symbol | P21/c |
| Cell length a | 10.5164(3) |
| Cell length b | 9.8032(3) |
| Cell length c | 10.9034(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 95.691(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0462 |
| R Factor (Obs) | 0.0392 |
| R Factor (All) | 0.0487 |
| Weighted R Factor (Obs) | 0.0962 |
| Weighted R Factor (All) | 0.1017 |
Citation: Coles (née Huth), Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1402)
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