Information card for entry 7213297

Structure parameters

• Chemical name: Cephradine/naphthalene complex
• Formula: C42 H58 N6 O14.5 S2
• Calculated formula: C42 H46 N6 O14.5 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: 23.4584 ± 0.0006 Å
• b: 7.1179 ± 0.0002 Å
• c: 14.8922 ± 0.0005 Å
• α: 90°
• β: 108.571 ± 0.002°
• γ: 90°
• Cell volume: 2357.14 ± 0.12 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: 0.0493
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections: 0.1389
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections: 1.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No