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)13-11-8-6-5-7-10(11)12(2,3)4/h5-8H,1-4H3,(H,13,14)
| Identification Number: | 10.5258/ecrystals/1369 |
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| Date Created: | 23 July 2009 |
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| Deposited On: | 30 Mar 2011 17:15 |
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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 | Lath |
| Crystal system | Tetragonal |
| Space group symbol | I41 c d |
| Cell length a | 16.2982(6) |
| Cell length b | 16.2982(6) |
| Cell length c | 17.0833(6) |
| 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 | 0.0822 |
| R Factor (Obs) | 0.0621 |
| R Factor (All) | 0.1070 |
| Weighted R Factor (Obs) | 0.1219 |
| Weighted R Factor (All) | 0.1393 |
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/1369)
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