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/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
| Identification Number: | 10.5258/ecrystals/1382 |
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| Date Created: | 08 January 2009 |
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| Deposited On: | 30 Mar 2011 17:53 |
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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 | 12.2837(4) |
| Cell length b | 9.4548(4) |
| Cell length c | 7.3046(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 99.932(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | 0.0301 |
| R Factor (Obs) | 0.0589 |
| R Factor (All) | 0.0761 |
| Weighted R Factor (Obs) | 0.1318 |
| Weighted R Factor (All) | 0.1460 |
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/1382)
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