Sample Originator: David B. Daviesa, S Beslib and A. Kilicb.
Data Collection: Simon J. Colesc
Structure Determination: Simon J. Colesc and Michael B. Hursthouse.
Birkbeck College, University of Londona
Gebze Institute of Technologyb
University of Southamptonc
C18H24N5O2P3
InChI=1/C18H30N5O2P3/c1-3-9-17(10-4-1)26(18-11-5-2-6-12-18)21-27(19-13-7-15-24-27)23-28(22-26)20-14-8-16-25-28/h1-6,9-12,19-23,26-28H,7-8,13-16H2
| Identification Number: | 10.5258/ecrystals/289 |
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| Date Created: | 16 March 2007 |
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| Deposited On: | 21 Jan 2008 15:30 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C18 H24 N5 O2 P3 |
| Crystal morphology | Slab |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 10.6006(6) |
| Cell length b | 9.5629(4) |
| Cell length c | 19.5682(11) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 91.038(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0566 |
| R Factor (Obs) | 0.0749 |
| R Factor (All) | 0.0947 |
| Weighted R Factor (Obs) | 0.1747 |
| Weighted R Factor (All) | 0.1925 |
Citation: Davies, David B. and Besli, S and Kilic, A. and Coles, Simon J. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/289)
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