Information card for entry 2235903

Structure parameters

• Chemical name: Ethyl 9-fluoro-5,12-dioxo-5,12-dihydroindolizino[2,3-<i>g</i>]quinoline-6-carboxylate
• Formula: C18 H11 F N2 O4
• Calculated formula: C18 H11 F N2 O4
• SMILES: CCOC(=O)c1c2ccc(cn2c2c1C(=O)c1cccnc1C2=O)F
• Title of publication: Ethyl 9-fluoro-5,12-dioxo-5,12-dihydroindolizino[2,3-<i>g</i>]quinoline-6-carboxylate
• Authors of publication: Zhang, Da-Li; Zhang, Li-Ping; Yao, Jia; Wu, Xi-Wei; An, Lin-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2548
• a: 6.85562 ± 0.0001 Å
• b: 12.12898 ± 0.00016 Å
• c: 17.0304 ± 0.0002 Å
• α: 90°
• β: 94.2306 ± 0.0013°
• γ: 90°
• Cell volume: 1412.25 ± 0.03 ų
• Cell temperature: 136 ± 7 K
• Ambient diffraction temperature: 136 ± 7 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes