Information card for entry 7213415

Structure parameters

• Chemical name: Cephradine/8-hydroxy quinoline complex
• Formula: C41 H58 N7 O15.5 S2
• Calculated formula: C41 H45 N7 O15.5 S2
• Title of publication: Efficiency of cephalosporin complexation with aromatic compounds
• Authors of publication: Kemperman, Gerardus J.; de Gelder, René; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 4
• Pages of publication: 633
• a: 23.443 ± 0.004 Å
• b: 7.0872 ± 0.0012 Å
• c: 14.896 ± 0.006 Å
• α: 90°
• β: 108.61 ± 0.02°
• γ: 90°
• Cell volume: 2345.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections: 0.1511
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No