Information card for entry 7125559

Structure parameters

• Common name: delta-cyclodextrin
• Chemical name: cyclomaltononaose cycloundecanone
• Formula: C301 H618.8 O237.4
• Calculated formula: C304 H252 O237.4
• Title of publication: X-ray structure of the delta-cyclodextrin complex with cycloundecanone.
• Authors of publication: Harata, Kazuaki; Akasaka, Hiroaki; Endo, Tomohiro; Nagase, Hiromasa; Ueda, Haruhisa
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 1968 - 1969
• a: 32.537 ± 0.004 Å
• b: 19.013 ± 0.002 Å
• c: 33.136 ± 0.006 Å
• α: 90°
• β: 98.428 ± 0.007°
• γ: 90°
• Cell volume: 20277 ± 5 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2194
• Weighted residual factors for all reflections included in the refinement: 0.2236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No