Information card for entry 2236864

Structure parameters

• Chemical name: Ethyl 3-(2-ethoxy-2-oxoethoxy)-6-(trifluoromethyl)furo[3,2-<i>c</i>]quinoline-2-carboxylate
• Formula: C19 H16 F3 N O6
• Calculated formula: C19 H16 F3 N O6
• SMILES: FC(F)(F)c1c2ncc3c(oc(c3OCC(=O)OCC)C(=O)OCC)c2ccc1
• Title of publication: Ethyl 3-(2-ethoxy-2-oxoethoxy)-6-(trifluoromethyl)furo[3,2-<i>c</i>]quinoline-2-carboxylate
• Authors of publication: Garudachari, B.; Islor, Arun M.; Vijesh, A. M.; Gerber, Thomas; Hosten, Eric; Betz, Richard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3389 - o3390
• a: 8.9167 ± 0.0003 Å
• b: 8.9223 ± 0.0003 Å
• c: 13.4125 ± 0.0005 Å
• α: 102.895 ± 0.001°
• β: 97.098 ± 0.002°
• γ: 116.035 ± 0.001°
• Cell volume: 904.22 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes