Information card for entry 8107578

Structure parameters

• Formula: C27 H32 F N3 O9
• Calculated formula: C27 H32 F N3 O9
• Title of publication: The crystal structure of 4-(3-carboxy-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4- dihydroquinolin-7-yl)-2-methylpiperazin-1-ium 2,5-dihydroxybenzoate methanol solvate, C27H32FN3O9
• Authors of publication: Lin, Shu-Ting; Lou, Can; Jiang, Cheng-Jun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 841 - 843
• a: 8.0932 ± 0.0004 Å
• b: 11.8392 ± 0.0007 Å
• c: 14.6782 ± 0.0008 Å
• α: 87.86 ± 0.003°
• β: 76.795 ± 0.002°
• γ: 78.317 ± 0.002°
• Cell volume: 1340.81 ± 0.13 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0666
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No