Sample Originator: S Beslia, A. Kilica and David B. Daviesb.
Data Collection: Simon J. Colesc
Structure Determination: Simon J. Coles and Michael B. Hursthousec.
Gebze Institute of Technologya
Birkbeck College, University of Londonb
University of Southamptonc
C18H24N5O2P3S2
InChI=1/C18H30N5O2P3S2/c1-3-9-17(10-4-1)29-28(30-18-11-5-2-6-12-18)22-26(19-13-7-15-24-26)21-27(23-28)20-14-8-16-25-27/h1-6,9-12,19-23,26-28H,7-8,13-16H2
| Identification Number: | 10.5258/ecrystals/286 |
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| Date Created: | 01 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 S2 |
| Crystal morphology | Rod |
| Crystal system | Tetragonal |
| Space group symbol | P4(1) |
| Cell length a | 11.50090(10) |
| Cell length b | 11.50090(10) |
| Cell length c | 16.78340(10) |
| 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 | 0.0717 |
| R Factor (Obs) | 0.0218 |
| R Factor (All) | 0.0231 |
| Weighted R Factor (Obs) | 0.0533 |
| Weighted R Factor (All) | 0.0539 |
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/286)
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