Information card for entry 2107440

Structure parameters

• Formula: C21 H24 F N3 O8
• Calculated formula: C21 H24 F N3 O8
• SMILES: c1c(c(=O)c2cc(c(cc2n1C1CC1)N1CC[NH2+]CC1)F)C(=O)O.C(=O)(/C=C/C(=O)O)[O-].O
• Title of publication: Salt screening and characterization of ciprofloxacin
• Authors of publication: Zhang, Guoshun; Zhang, Li; Yang, Dezhi; Zhang, Na; He, Lan; Du, Guanhua; Lu, Yang
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 1
• Pages of publication: 20 - 28
• a: 9.579 ± 0.003 Å
• b: 9.806 ± 0.002 Å
• c: 11.612 ± 0.004 Å
• α: 78.66 ± 0.02°
• β: 89.44 ± 0.03°
• γ: 78.85 ± 0.04°
• Cell volume: 1048.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0464
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes