Information card for entry 7213298

Structure parameters

• Chemical name: Cephradine/2-acetonaphthone complex
• Formula: C44 H57 N6 O13.5 S2
• Calculated formula: C44 H48 N6 O13.5 S2
• Title of publication: Induced fit phenomena in clathrate structures of cephalosporins
• Authors of publication: Kemperman, Gerardus J.; de Gelder, Rene; 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: 2000
• Journal issue: 7
• Pages of publication: 1425
• a: 23.3855 ± 0.0005 Å
• b: 7.1965 ± 0.0003 Å
• c: 14.7588 ± 0.0004 Å
• α: 90°
• β: 108.58 ± 0.003°
• γ: 90°
• Cell volume: 2354.36 ± 0.13 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: 0.0339
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No