Sample Originator: David B. Daviesb, A. Kilicc and Serkan Yesilotc.
Data Collection: Simon J. Colesa
Structure Determination: Simon J. Colesa and Michael B. Hursthousea.
University of Southamptona
Birkbeck College, University of Londonb
Gebze Institute of Technologyc
C18H24N5O4P3
InChI=1/C18H30N5O4P3/c1-3-9-17(10-4-1)26-30(27-18-11-5-2-6-12-18)22-28(19-13-7-15-24-28)21-29(23-30)20-14-8-16-25-29/h1-6,9-12,19-23,28-30H,7-8,13-16H2
| Identification Number: | 10.5258/ecrystals/410 |
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| Date Created: | 08 May 2008 |
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| Deposited On: | 08 May 2008 23:52 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C18 H24 N5 O4 P3 |
| Crystal morphology | Plate |
| Crystal system | Monoclinic |
| Space group symbol | P2(1) |
| Cell length a | 6.30730(10) |
| Cell length b | 17.6438(4) |
| Cell length c | 9.5481(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 96.5520(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0650 |
| R Factor (Obs) | 0.0282 |
| R Factor (All) | 0.0294 |
| Weighted R Factor (Obs) | 0.0645 |
| Weighted R Factor (All) | 0.0654 |
Citation: Coles, Simon J. and Hursthouse, Michael B. and Davies, David B. and Kilic, A. and Yesilot, Serkan (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/410)
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