Information card for entry 4507622

Structure parameters

• Formula: C23 H32 F N3 O8
• Calculated formula: C23 H32 F N3 O8
• SMILES: C(C)[NH+]1CCN(c2c(cc3c(c2)n(cc(C(=O)O)c3=O)C2CC2)F)CC1.C(=O)(C)O.C(=O)(C)[O-].O
• Title of publication: Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability
• Authors of publication: Karanam, Maheswararao; Choudhury, Angshuman Roy
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 1626
• a: 7.2779 ± 0.0004 Å
• b: 12.2704 ± 0.0008 Å
• c: 14.5883 ± 0.0009 Å
• α: 95.722 ± 0.004°
• β: 99.508 ± 0.004°
• γ: 102.931 ± 0.004°
• Cell volume: 1239.57 ± 0.13 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.103
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No