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)9-5-4-6-10(7-9)12-8(2)13/h4-7H,3H2,1-2H3,(H,12,13)
| Identification Number: | 10.5258/ecrystals/1374 |
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| Date Created: | 14 July 2008 |
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| Deposited On: | 30 Mar 2011 18:00 |
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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 Block |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 5.7366(2) |
| Cell length b | 8.5492(5) |
| Cell length c | 10.6373(6) |
| Cell angle alpha | 93.974(2) |
| Cell angle beta | 99.351(3) |
| Cell angle gamma | 95.314(3) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0410 |
| R Factor (Obs) | 0.0498 |
| R Factor (All) | 0.0579 |
| Weighted R Factor (Obs) | 0.1362 |
| Weighted R Factor (All) | 0.1442 |
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/1374)
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