Information card for entry 2011116

Structure parameters

• Common name: Pefloxacinium methanesulfonate 0.10 hydrate
• Chemical name: 4-(3-Carboxy-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolyl)-1- methylpiperazinium methanesulfonate 0.10 hydrate
• Formula: C18 H24.2 F N3 O6.1 S
• Calculated formula: C18 H24.2 F N3 O6.1 S
• Title of publication: Pefloxacinium methanesulfonate 0.10-hydrate
• Authors of publication: Parvez, Masood; Arayne, M. Saeed; Sultana, Najma; Siddiqi, Ahsan Zamir
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 910 - 912
• a: 8.111 ± 0.003 Å
• b: 10.013 ± 0.001 Å
• c: 13.277 ± 0.003 Å
• α: 101.22 ± 0.01°
• β: 102.85 ± 0.02°
• γ: 102.01 ± 0.01°
• Cell volume: 994.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes