Information card for entry 7251172

Structure parameters

• Chemical name: Ofloxacin
• Formula: C18 H20 F N3 O4
• Calculated formula: C18 H20 F N3 O4
• Title of publication: Pressure-Induced Phase Behaviour and Compressibility of the Racemic and Chiral Solid Forms, Ofloxacin and Levofloxacin
• Authors of publication: Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Michael, Hanfland; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 28.443 ± 0.009 Å
• b: 6.0167 ± 0.0007 Å
• c: 15.7781 ± 0.0017 Å
• α: 90°
• β: 102.951 ± 0.018°
• γ: 90°
• Cell volume: 2631.5 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 5.2 kPa
• 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: 0.0605
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No