Information card for entry 2005413

Structure parameters

• Common name: β-Cyclodextrin-nonanoic acid complex
• Chemical name: cyclomaltoheptaose-nonanoic acid complex
• Formula: C98.4 H216.6 O97.1
• Calculated formula: C98.4 H92 O97.08
• Title of publication: β-Cyclodextrin Nonanoic Acid 1:1 Complex
• Authors of publication: Rontoyianni, A.; Mavridis, I. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2277 - 2281
• a: 18.056 ± 0.003 Å
• b: 15.446 ± 0.002 Å
• c: 15.452 ± 0.002 Å
• α: 103.159 ± 0.005°
• β: 112.994 ± 0.005°
• γ: 99.352 ± 0.005°
• Cell volume: 3707.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections: 0.2939
• Weighted residual factors for significantly intense reflections: 0.2069
• Goodness-of-fit parameter for all reflections: 1.094
• Goodness-of-fit parameter for significantly intense reflections: 0.978
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKαNb-filtered
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No