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/c1-7-5-3-4-6-9(7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
| Identification Number: | 10.5258/ecrystals/1367 |
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| Date Created: | 17 January 2009 |
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| Deposited On: | 30 Mar 2011 17:13 |
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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 Fragment |
| Crystal system | Monoclinic |
| Space group symbol | P21/n |
| Cell length a | 11.1083(6) |
| Cell length b | 4.8283(3) |
| Cell length c | 15.2681(7) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 99.170(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0347 |
| R Factor (Obs) | 0.0475 |
| R Factor (All) | 0.0587 |
| Weighted R Factor (Obs) | 0.1199 |
| Weighted R Factor (All) | 0.1322 |
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/1367)
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