Information card for entry 2010743

Structure parameters

• Common name: sparfloxacin
• Formula: C19 H28 F2 N4 O6
• Calculated formula: C19 H28 F2 N4 O6
• SMILES: Fc1c2n(cc(c(=O)c2c(N)c(F)c1N1C[C@@H]([NH2+][C@@H](C1)C)C)C(=O)[O-])C1CC1.O.O.O
• Title of publication: Sparfloxacin, an antibacterial drug
• Authors of publication: Sivalakshmidevi, A.; Vyas, K.; Om Reddy, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: e115 - e116
• a: 11.85 ± 0.003 Å
• b: 10.913 ± 0.004 Å
• c: 17.506 ± 0.002 Å
• α: 90°
• β: 107.76 ± 0.01°
• γ: 90°
• Cell volume: 2156 ± 1 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections: 1.909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.987
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes