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)9-3-5-10(6-4-9)11-8(2)13/h3-6,11H,1-2H3/q-2
| Identification Number: | 10.5258/ecrystals/1399 |
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| Date Created: | 08 January 2009 |
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| Deposited On: | 30 Mar 2011 21:19 |
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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 | Cut Lath |
| Crystal system | Orthorhombic |
| Space group symbol | P 21 21 21 |
| Cell length a | 7.5138(5) |
| Cell length b | 9.3146(7) |
| Cell length c | 12.8999(11) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0560 |
| R Factor (Obs) | 0.0785 |
| R Factor (All) | 0.1192 |
| Weighted R Factor (Obs) | 0.1377 |
| Weighted R Factor (All) | 0.1537 |
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/1399)
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