Sample Originator: N. Tomkinsonb.
Data Collection: Simon J. Colesa
Structure Determination: Simon J. Colesa and Michael B. Hursthousea.
University of Southamptona
Cardiff Universityb
C16H20F9N2P
InChI=1/C16H21F3N2.F6P/c1-20(2)14-9-7-13(8-10-14)5-3-11-21-12-4-6-15(21)16(17,18)19;1-7(2,3,4,5)6/h3,7-11,15H,4-6,12H2,1-2H3;/b11-3+;/t15-;/m1./s1
| Identification Number: | 10.5258/ecrystals/421 |
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| Date Created: | 12 May 2008 |
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| Deposited On: | 12 May 2008 20:51 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C16 H20 F9 N2 P |
| Crystal morphology | Blade |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 20.7923(9) |
| Cell length b | 10.7114(5) |
| Cell length c | 8.4013(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 94.923(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0909 |
| R Factor (Obs) | 0.0520 |
| R Factor (All) | 0.0690 |
| Weighted R Factor (Obs) | 0.1308 |
| Weighted R Factor (All) | 0.1421 |
Citation: Coles, Simon J. and Hursthouse, Michael B. and Tomkinson, N. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/421)
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