96SRC235 (995) - C22H36F12N2O8P2
Sample Originator: Keith G. Orrella. Data Collection: Dai E. Hibbsb and Michael B. Hursthousec Structure Determination: Dai E. Hibbsb and Steven J. Lamondc. University of Exetera
University of Sydneyb
University of Southamptonc
C22H36F12N2O8P2 InChI=1/2C11H18NO4.2F5P.2FH/c2*1-13-10(14-2)8-6-5-7-9(12-8)11(15-3)16-4;2*1-6(2,3,4)5;;/h2*5-7,10-12H,1-4H3;;;2*1H | Date Created: | 19 September 1996 |
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| Deposited On: | 23 Dec 2014 13:21 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters| Chemical formula | C22 H36 F12 N2 O8 P2 | | Crystal morphology | | | Crystal system | Monoclinic | | Space group symbol | P2(1)/c | | Cell length a | 13.958(3) | | Cell length b | 7.2460(13) | | Cell length c | 32.562(2) | | Cell angle alpha | 90.00 | | Cell angle beta | 98.70(2) | | Cell angle gamma | 90.00 | | Data collection temperature | 150(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0549 | | R Factor (All) | 0.0841 | | Weighted R Factor (Obs) | 0.1323 | | Weighted R Factor (All) | 0.1409 |
Citation: Orrell, Keith G. and Hibbs, Dai E. and Hursthouse, Michael B. and Lamond, Steven J. (1996) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/793/)
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