Information card for entry 7215688

Structure parameters

• Common name: Levofloxacin hemihydrate
• Formula: C36 H42 F2 N6 O9
• Calculated formula: C36 H42 F2 N6 O9
• 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: 29.127 ± 0.003 Å
• b: 6.885 ± 0.0002 Å
• c: 18.849 ± 0.0008 Å
• α: 90°
• β: 114.089 ± 0.006°
• γ: 90°
• Cell volume: 3450.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No