Sample Originator: N Tomkinsonb.
Data Collection: Simon J. Colesa
Structure Determination: Simon J. Colesa and Michael B. Hursthousea.
University of Southamptona
Cardiff Universityb
C22H25N2OF6P
InChI=1/C22H26N2O.F5P.FH/c1-22(2)23(3)21(25)20(17-19-13-8-5-9-14-19)24(22)16-10-15-18-11-6-4-7-12-18;1-6(2,3,4)5;/h4-14,16,20H,15,17H2,1-3H3;;1H/b16-10+;;/t20-;;/m0../s1
| Identification Number: | 10.5258/ecrystals/478 |
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| Date Created: | 05 July 2008 |
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| Deposited On: | 05 Jul 2008 11:02 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C22 H25 F6 N2 O P |
| Crystal morphology | Block |
| Crystal system | Orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 9.69740(10) |
| Cell length b | 13.2347(2) |
| Cell length c | 17.3564(2) |
| 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 | 0.0999 |
| R Factor (Obs) | 0.0362 |
| R Factor (All) | 0.0418 |
| Weighted R Factor (Obs) | 0.0878 |
| Weighted R Factor (All) | 0.0911 |
Citation: Coles, Simon J. and Hursthouse, Michael B. and Tomkinson, N (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/478)
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