Information card for entry 2229046

Structure parameters

• Chemical name: (<i>RS</i>)-4-(3-carboxy-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinolin-7-yl)- 2-methylpiperazin-1-ium 2,4,6-trinitrophenolate
• Formula: C23 H22 F2 N6 O10
• Calculated formula: C23 H22 F2 N6 O10
• Title of publication: Lomefloxacinium picrate
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Siddegowda, M. S.; Yathirajan, H. S.; Hakim Al-arique, Q. N. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o483 - o484
• a: 10.9314 ± 0.0004 Å
• b: 11.6748 ± 0.0004 Å
• c: 12.053 ± 0.0004 Å
• α: 92.969 ± 0.003°
• β: 115.555 ± 0.003°
• γ: 109.852 ± 0.003°
• Cell volume: 1269.14 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0728
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.1975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes