Information card for entry 7215693

Structure parameters

• Formula: C114 H126 F6 N18 O47
• Calculated formula: C114 H126 F6 N18 O47
• Title of publication: New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form
• Authors of publication: Singh, Shiv Shankar; Thakur, Tejender S.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 20
• Pages of publication: 4215
• a: 9.984 ± 0.002 Å
• b: 17.199 ± 0.003 Å
• c: 19.058 ± 0.004 Å
• α: 67.254 ± 0.008°
• β: 86.503 ± 0.012°
• γ: 77.145 ± 0.011°
• Cell volume: 2941.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No