Information card for entry 2242790

Structure parameters

• Chemical name: (<i>RS</i>)-4-(3-Carboxy-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2-methylpiperazin-1-ium 3-carboxy-5-fluorobenzoate
• Formula: C25 H24 F3 N3 O7
• Calculated formula: C25 H24 F3 N3 O7
• Title of publication: Crystal structure of (<i>RS</i>)-4-(3-carboxy-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2-methylpiperazin-1-ium 3-carboxy-5-fluorobenzoate
• Authors of publication: Feng, Sheng; Zhu, Gui-Liang; Sun, Jia-Jia; Chen, Chen; Zhang, Zhi-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 1
• Pages of publication: 68 - 70
• a: 10.4324 ± 0.0012 Å
• b: 16.5656 ± 0.0019 Å
• c: 14.0448 ± 0.0017 Å
• α: 90°
• β: 100.707 ± 0.003°
• γ: 90°
• Cell volume: 2385 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes