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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
Date Created:17 June 2003
Deposited On:21 Jan 2008 15:28
Deposited By:A.N. Admin

Data collection parameters

Chemical formulaC18 H16 N2 O6
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/n
Cell length a10.9384(3)
Cell length b8.2970(2)
Cell length c17.3097(5)
Cell angle alpha90.00
Cell angle beta96.667(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0448
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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