Information card for entry 7251173

Structure parameters

• Formula: C18 H21 F N3 O4.5
• Calculated formula: C18 H21 F N3 O4.5
• 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; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 47
• Pages of publication: 7662 - 7676
• a: 13.985 ± 0.002 Å
• b: 6.0616 ± 0.0006 Å
• c: 17.534 ± 0.003 Å
• α: 81.661 ± 0.009°
• β: 109.861 ± 0.012°
• γ: 79.082 ± 0.007°
• Cell volume: 1336.9 ± 0.4 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 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: 0.1436
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2288
• Weighted residual factors for all reflections included in the refinement: 0.2761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No