Information card for entry 2311682

Structure parameters

• Formula: C25 H27 F2 N3 O8
• Calculated formula: C25 H27 F2 N3 O8
• SMILES: C1(CN(CC[NH2+]1)c1c(c2c(cc1F)C(=O)C(=CN2CC)C(=O)O)F)C.c1(cc(ccc1)C(=O)[O-])C(=O)O.O
• Title of publication: From a binary salt to salt co-crystals of antibacterial agent lomefloxacin with improved solubility and bioavailability.
• Authors of publication: Zhang, Zhi-Hui; Zhang, Qi; Zhang, Qing-Qing; Chen, Chen; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Xuan, Xiao-Peng; Huang, Xian-Feng
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2015
• Journal volume: 71
• Journal issue: Pt 4
• Pages of publication: 437 - 446
• a: 8.6341 ± 0.0015 Å
• b: 10.5326 ± 0.0018 Å
• c: 14.302 ± 0.002 Å
• α: 89.016 ± 0.004°
• β: 73.535 ± 0.004°
• γ: 82.924 ± 0.004°
• Cell volume: 1237.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1315
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.2502
• Weighted residual factors for all reflections included in the refinement: 0.314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No