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
C10H11NO2
InChI=1/C10H11NO2/c1-7(12)9-4-3-5-10(6-9)11-8(2)13/h3-6H,1-2H3,(H,11,13)
| Identification Number: | 10.5258/ecrystals/1378 |
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| Date Created: | 05 March 2009 |
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| Deposited On: | 30 Mar 2011 18:04 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C10 H11 N O2 |
| Crystal morphology | Plate |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 5.5061(2) |
| Cell length b | 7.2607(3) |
| Cell length c | 11.4567(5) |
| Cell angle alpha | 103.709(2) |
| Cell angle beta | 93.064(3) |
| Cell angle gamma | 100.528(3) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0422 |
| R Factor (Obs) | 0.0547 |
| R Factor (All) | 0.0867 |
| Weighted R Factor (Obs) | 0.1239 |
| Weighted R Factor (All) | 0.1428 |
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/1378)
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