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
C11H13NO3
InChI=1/C11H13NO3/c1-3-15-11(14)9-4-6-10(7-5-9)12-8(2)13/h4-7H,3H2,1-2H3,(H,12,13)
| Identification Number: | 10.5258/ecrystals/1396 |
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| Date Created: | 21 October 2008 |
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| Deposited On: | 30 Mar 2011 21:23 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C11 H13 N O3 |
| Crystal morphology | Cut Shard |
| Crystal system | Monoclinic |
| Space group symbol | Cc |
| Cell length a | 8.4447(3) |
| Cell length b | 19.2810(12) |
| Cell length c | 7.3108(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 117.051(4) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0273 |
| R Factor (Obs) | 0.0355 |
| R Factor (All) | 0.0410 |
| Weighted R Factor (Obs) | 0.0810 |
| Weighted R Factor (All) | 0.0850 |
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/1396)
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