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
C9H11NO
InChI=1/C9H11NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
| Identification Number: | 10.5258/ecrystals/1389 |
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| Date Created: | 21 June 2008 |
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| Deposited On: | 30 Mar 2011 22:03 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C9 H11 N O |
| Crystal morphology | Cut Plate |
| Crystal system | Monoclinic |
| Space group symbol | P21/c |
| Cell length a | 11.6779(9) |
| Cell length b | 9.4902(7) |
| Cell length c | 7.4186(6) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 106.515(5) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0335 |
| R Factor (Obs) | 0.0467 |
| R Factor (All) | 0.0658 |
| Weighted R Factor (Obs) | 0.1075 |
| Weighted R Factor (All) | 0.1176 |
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/1389)
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