Information card for entry 2206655

Structure parameters

• Chemical name: 1-Cyclopropyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3- carboxylic acid
• Formula: C18 H18 F N3 O4
• Calculated formula: C18 H18 F N3 O4
• SMILES: Fc1c(N2CCN(C=O)CC2)cc2n(cc(c(=O)c2c1)C(=O)O)C1CC1
• Title of publication: 1-Cyclopropyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. Corrigendum
• Authors of publication: Xian-Wen Li; Feng Zhi; Jian-Hua Shen; Yi-Qiao Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: e3 - e3
• a: 8.414 ± 0.002 Å
• b: 9.513 ± 0.002 Å
• c: 10.497 ± 0.002 Å
• α: 102.57 ± 0.03°
• β: 96.58 ± 0.03°
• γ: 97.08 ± 0.03°
• Cell volume: 805.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1092
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes