5-(4,4-Diethoxybut-2-yn-1-yl)phenanthridin-6(5H)-one
Sample Originator: Frederic Le Strata and David C Harrowvena. Data Collection: Thomas Gelbricha Structure Determination: Thomas Gelbricha. University of Southamptona
C21H21NO3 InChI=1/C21H21NO3/c1-3-24-20(25-4-2)14-9-15-22-19-13-8-7-11-17(19)16-10-5-6-12-18(16)21(22)23/h5-8,10-13,20H,3-4,15H2,1-2H3 | Identification Number: | 10.5258/ecrystals/400 |
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| Date Created: | 25 May 2001 |
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| Deposited On: | 18 Apr 2008 14:22 |
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| Deposited By: | Dr Thomas Gelbrich |
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Data collection parameters| Chemical formula | C21 H21 N O3 | | Crystal morphology | | | Crystal system | Monoclinic | | Space group symbol | Cc | | Cell length a | 25.850(3) | | Cell length b | 4.6425(7) | | Cell length c | 16.978(3) | | Cell angle alpha | 90.00 | | Cell angle beta | 123.95(3) | | Cell angle gamma | 90.00 | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0532 | | R Factor (All) | 0.1127 | | Weighted R Factor (Obs) | 0.0955 | | Weighted R Factor (All) | 0.1122 |
Citation: Gelbrich, Thomas and Le Strat, Frederic and Harrowven, David C and Hursthouse, Michael B. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/400)
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