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
C10H13NO2
InChI=1/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
| Identification Number: | 10.5258/ecrystals/1394 |
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| Date Created: | 07 July 2008 |
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| Deposited On: | 30 Mar 2011 21:26 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C10 H13 N O2 |
| Crystal morphology | Needle |
| Crystal system | Monoclinic |
| Space group symbol | P21/c |
| Cell length a | 13.2432(3) |
| Cell length b | 9.5856(3) |
| Cell length c | 7.4783(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 103.345(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0571 |
| R Factor (Obs) | 0.0395 |
| R Factor (All) | 0.0442 |
| Weighted R Factor (Obs) | 0.0918 |
| Weighted R Factor (All) | 0.0957 |
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/1394)
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