Information card for entry 7101804

Structure parameters

• Common name: octakis(2,3,6-tri-O-acetyl)-gamma-cyclodextrin.2(ethanol).H2O
• Chemical name: octakis(2,3,6-tri-O-acetyl)-gamma-cyclodextrin.2(ethanol).H2O
• Formula: C100 H142 O67
• Calculated formula: C100 H140 O67
• Title of publication: Effect of peracetylation on the conformation of gamma-cyclodextrin.
• Authors of publication: Caira, Mino R; Bettinetti, Giampiero; Sorrenti, Milena; Catenacci, Laura; Cruickshank, Dyanne; Davies, Kate
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 12
• Pages of publication: 1221 - 1223
• a: 25.0841 ± 0.0001 Å
• b: 25.0841 ± 0.0001 Å
• c: 38.276 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24083.7 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1939
• Weighted residual factors for all reflections included in the refinement: 0.2029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No