2-Amino-3-oxo-3H-Phenoxazine-1,9-dicarboxylic acid diethyl ester
Sample Originator: David B. Davies and Simon J. Coles. C18H16N2O6 InChI=1/C18H15N2O6/c1-3-24-17(22)9-6-5-7-11-15(9)20-16-12(26-11)8-10(21)14(19)13(16)18(23)25-4-2/h5-8H,3-4H2,1-2H3,(H-,19,20,22,23)/p+1
| Identification Number: | 10.5258/ecrystals/137 |
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| Date Created: | 17 June 2003 |
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| Deposited On: | 21 Jan 2008 15:28 |
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| Deposited By: | A.N. Admin |
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Data collection parameters| Chemical formula | C18 H16 N2 O6 | | Crystal morphology | | | Crystal system | Monoclinic | | Space group symbol | P2(1)/n | | Cell length a | 10.9384(3) | | Cell length b | 8.2970(2) | | Cell length c | 17.3097(5) | | Cell angle alpha | 90.00 | | Cell angle beta | 96.667(2) | | Cell angle gamma | 90.00 | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | 0.0448 | | R Factor (Obs) | 0.0525 | | R Factor (All) | 0.0716 | | Weighted R Factor (Obs) | 0.1266 | | Weighted R Factor (All) | 0.1395 |
Citation: Davies, David B. and Coles, Simon J. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/137)
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