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
C10H11NO3
InChI=1/C10H11NO3/c1-7(12)11-9-5-3-8(4-6-9)10(13)14-2/h3-6H,1-2H3,(H,11,12)
| Identification Number: | 10.5258/ecrystals/1395 |
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| Date Created: | 16 October 2008 |
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| Deposited On: | 30 Mar 2011 21:24 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C10 H11 N O3 |
| Crystal morphology | Block |
| Crystal system | Monoclinic |
| Space group symbol | C2/c |
| Cell length a | 17.5403(5) |
| Cell length b | 13.7630(3) |
| Cell length c | 7.7717(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 101.8760(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0380 |
| R Factor (All) | 0.0484 |
| Weighted R Factor (Obs) | 0.0997 |
| Weighted R Factor (All) | 0.1063 |
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/1395)
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