Sample Originator: S Beslia, A. Kilica and David B. Daviesb.
Data Collection: Simon J. Colesc
Structure Determination: Simon J. Colesc and Michael B. Hursthousec.
Gebze Institute of Technologya
Birkbeck College, University of Londonb
University of Southamptonc
C18H25ClN5O2P3
InChI=1/C18H31ClN5OP3.CH4O/c1-2-14-21-28-23-26(17-10-5-3-6-11-17,18-12-7-4-8-13-18)22-27(19,24-28)20-15-9-16-25-28;1-2/h3-8,10-13,20-24,26-28H,2,9,14-16H2,1H3;2H,1H3
| Identification Number: | 10.5258/ecrystals/298 |
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| Date Created: | 19 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 H25 Cl N5 O2 P3 |
| Crystal morphology | Prism |
| Crystal system | Monoclinic |
| Space group symbol | P2(1) |
| Cell length a | 9.7832(2) |
| Cell length b | 10.0420(2) |
| Cell length c | 11.5984(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 109.2280(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0609 |
| R Factor (Obs) | 0.0340 |
| R Factor (All) | 0.0348 |
| Weighted R Factor (Obs) | 0.1002 |
| Weighted R Factor (All) | 0.1012 |
Citation: Besli, S and Kilic, A. and Davies, David B. and Coles, Simon J. and Coles, Simon J. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/298)
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