Sample Originator: N Tomkinsona.
Data Collection: Simon J. Colesb
Structure Determination: Simon J. Colesb and Michael B. Hursthouseb.
Cardiff Universitya
University of Southamptonb
C18H22NO4P
InChI=1/C18H24NO4P/c1-18(2,3)22-17(20)19(4)23-24(21,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,21,24H,1-4H3
| Identification Number: | 10.5258/ecrystals/321 |
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| Date Created: | 15 June 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 H22 N O4 P |
| Crystal morphology | Block |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 8.3400(2) |
| Cell length b | 10.7116(2) |
| Cell length c | 11.0362(3) |
| Cell angle alpha | 107.8860(10) |
| Cell angle beta | 96.6450(10) |
| Cell angle gamma | 99.433(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0645 |
| R Factor (Obs) | 0.0350 |
| R Factor (All) | 0.0426 |
| Weighted R Factor (Obs) | 0.0859 |
| Weighted R Factor (All) | 0.0899 |
Citation: Tomkinson, N and Coles, Simon J. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/321)
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