Information card for entry 2242230

Structure parameters

• Common name: 2,3-Diethyl-5,12-dihydroxynaphtho[2,3-<i>g</i>]quinoxaline-6,11-dione
• Chemical name: 2,3-Diethyl-5,12-dihydroxynaphtho[2,3-<i>g</i>]quinoxaline-6,11-dione
• Formula: C20 H16 N2 O4
• Calculated formula: C20 H16 N2 O4
• SMILES: Oc1c2nc(c(nc2c(O)c2c1C(=O)c1ccccc1C2=O)CC)CC
• Title of publication: Crystal structures of two 2,3-diethylnaphtho[2,3-<i>g</i>]quinoxaline-6,11-dione derivatives
• Authors of publication: Forsyth, Craig M.; Francis, Craig L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 8
• Pages of publication: 1125 - 1129
• a: 28.2529 ± 0.0011 Å
• b: 28.2529 ± 0.0011 Å
• c: 4.2504 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3392.8 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes