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
C10H13NO
InChI=1/C10H13NO/c1-3-9-4-6-10(7-5-9)11-8(2)12/h4-7,11H,3H2,1-2H3/q-1
| Identification Number: | 10.5258/ecrystals/1398 |
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| Date Created: | 13 December 2008 |
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| Deposited On: | 30 Mar 2011 21:20 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C10 H13 N O |
| Crystal morphology | Cut Sheet |
| Crystal system | Monoclinic |
| Space group symbol | Cc |
| Cell length a | 4.5852(2) |
| Cell length b | 21.3953(10) |
| Cell length c | 9.4310(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.001(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0341 |
| R Factor (Obs) | 0.0376 |
| R Factor (All) | 0.0433 |
| Weighted R Factor (Obs) | 0.0934 |
| Weighted R Factor (All) | 0.0970 |
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/1398)
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