Information card for entry 4502707

Structure parameters

• Common name: Anhydrous Ofloxacin
• Formula: C18 H20 F N3 O4
• Calculated formula: C18 H20 F N3 O4
• SMILES: Fc1cc2c(=O)c(cn3C(COc(c1N1CCN(CC1)C)c23)C)C(=O)O
• Title of publication: A Device to Crystallize Organic Solids: Structure of Ciprofloxacin, Midazolam, and Ofloxacin as Targets
• Authors of publication: Mahapatra, Sudarshan; Venugopala, K. N.; Guru Row, Tayur N.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 1866
• a: 30.322 ± 0.004 Å
• b: 6.8607 ± 0.0008 Å
• c: 16.9199 ± 0.0016 Å
• α: 90°
• β: 105.271 ± 0.011°
• γ: 90°
• Cell volume: 3395.6 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.4321
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 0.681
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No