Information card for entry 2219909

Structure parameters

• Chemical name: Ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
• Formula: C16 H15 F2 N O4
• Calculated formula: C16 H15 F2 N O4
• SMILES: n1(c2c(OC)c(F)c(F)cc2c(=O)c(c1)C(=O)OCC)C1CC1
• Title of publication: Ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
• Authors of publication: Wang, De-Cai; Huang, Xin-Ming; Liu, Yan-Ping; Tang, Chun-Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2214
• a: 16.395 ± 0.003 Å
• b: 17.732 ± 0.004 Å
• c: 12.199 ± 0.002 Å
• α: 90°
• β: 123.71 ± 0.03°
• γ: 90°
• Cell volume: 2950.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes