Sample Originator: Peter J. Hollimana.
Data Collection: Peter N. Hortonb
Structure Determination: Peter N. Hortonb and Michael B. Hursthouseb.
University of Wales, Bangora
University of Southamptonb
C18H19NO3
InChI=1/C18H19NO3/c1-5-22-17-11(15(20)16(17)21)10-14-18(2,3)12-8-6-7-9-13(12)19(14)4/h6-10H,5H2,1-4H3/b14-10+
| Identification Number: | 10.5258/ecrystals/1247 |
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| Controlled Keywords: | crystal structures of small organic molecules, dye compounds |
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| Date Created: | 01 September 2009 |
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| Deposited On: | 26 Jan 2010 09:35 |
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| Deposited By: | Dr Peter N Horton |
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Depositor Comments
User Refcode:- ACHFSQ3
Data collection parameters
| Chemical formula | C18 H19 N O3 |
| Crystal morphology | Slab |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 7.2314(2) |
| Cell length b | 9.4760(3) |
| Cell length c | 11.6165(4) |
| Cell angle alpha | 82.094(2) |
| Cell angle beta | 82.082(2) |
| Cell angle gamma | 78.631(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0300 |
| R Factor (Obs) | 0.0541 |
| R Factor (All) | 0.0673 |
| Weighted R Factor (Obs) | 0.1107 |
| Weighted R Factor (All) | 0.1189 |
Citation: Holliman, Peter J. and Horton, Peter N. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1247)
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