Information card for entry 2004919

Structure parameters

• Common name: β-Cyclodextrin-Z-9-dodecenol complex
• Chemical name: cyclomaltoheptaose-Z-9-dodecen-1-ol complex
• Formula: C49 H104 O46
• Calculated formula: C48.81 H52.43 O45.37
• Title of publication: β-Cyclodextrin (<i>Z</i>)-9-Dodecen-1-ol 2:1 Complex
• Authors of publication: Mentzafos, D.; Mavridis, I. M.; Hursthouse, M. B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1220 - 1223
• a: 19.238 ± 0.005 Å
• b: 24.477 ± 0.003 Å
• c: 15.79 ± 0.02 Å
• α: 90°
• β: 109.52 ± 0.02°
• γ: 90°
• Cell volume: 7008 ± 9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections: 0.2204
• Weighted residual factors for significantly intense reflections: 0.1842
• Goodness-of-fit parameter for all reflections: 0.596
• Goodness-of-fit parameter for significantly intense reflections: 0.732
• Diffraction radiation wavelength: 0.071069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No