Information card for entry 2017997

Structure parameters

• Common name: ciprofloxacin‒water (3/14.5)
• Chemical name: 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3- carboxylate‒water (3/14.5)
• Formula: C51 H83 F3 N9 O23.5
• Calculated formula: C51 H69 F3 N9 O23.5
• Title of publication: Intermolecular interactions, disorder and twinning in ciprofloxacin‒2,2-difluoroethanol (2/3) and ciprofloxacin‒water (3/14.5)
• Authors of publication: Fabbiani, Francesca P. A.; Arlin, Jean-Baptiste; Buth, Gernot; Dittrich, Birger; Florence, Alastair J.; Herbst-Irmer, Regine; Sowa, Heidrun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o120 - o124
• a: 13.876 ± 0.0012 Å
• b: 15.876 ± 0.0013 Å
• c: 16.528 ± 0.002 Å
• α: 115.755 ± 0.007°
• β: 103.61 ± 0.007°
• γ: 102.325 ± 0.005°
• Cell volume: 2972.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes