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
C12H17NO
InChI=1/C12H17NO/c1-9(14)13-11-7-5-10(6-8-11)12(2,3)4/h5-8H,1-4H3,(H,13,14)
| Identification Number: | 10.5258/ecrystals/1385 |
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| Date Created: | 19 June 2008 |
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| Deposited On: | 30 Mar 2011 22:09 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C12 H17 N O |
| Crystal morphology | Cut Plate |
| Crystal system | Monoclinic |
| Space group symbol | P21/c |
| Cell length a | 16.4165(6) |
| Cell length b | 9.6159(3) |
| Cell length c | 7.1985(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 97.315(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0366 |
| R Factor (Obs) | 0.0663 |
| R Factor (All) | 0.0956 |
| Weighted R Factor (Obs) | 0.1326 |
| Weighted R Factor (All) | 0.1512 |
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/1385)
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