Sample Originator: Terry L. Threlfalla.
Data Collection: Susanne L. Hutha
Structure Determination: Susanne L. Hutha and Michael B. Hursthousea.
University of Southamptona
C10H12F3NO2
InChI=1/C8H12N.C2F3O2/c1-2-7-3-5-8(9)6-4-7;3-2(4,5)1(6)7/h3-6H,2H2,1,9H3;
| Identification Number: | 10.5258/ecrystals/697 |
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| Date Created: | 28 October 2008 |
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| Deposited On: | 03 Apr 2009 11:56 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C10 H12 F3 N O2 |
| Crystal morphology | Cut Block |
| Crystal system | Monoclinic |
| Space group symbol | P21/c |
| Cell length a | 13.3567(4) |
| Cell length b | 7.6145(3) |
| Cell length c | 11.0805(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 110.890(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0331 |
| R Factor (Obs) | 0.0476 |
| R Factor (All) | 0.0686 |
| Weighted R Factor (Obs) | 0.0996 |
| Weighted R Factor (All) | 0.1100 |
Citation: Huth, Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/697)
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