Information card for entry 2003003

Structure parameters

• Common name: gamma-Cyclodextrin methanol
• Formula: ?
• Calculated formula: C48 H56 O53.28
• Title of publication: Channel-Type Crystal Packing in the Very Rare Space Group <i>P</i>42~1~2 with <i>Z</i>' = 3/4: Crystal Structure of the Complex γ-Cyclodextrin‒Methanol‒<i>n</i>-Hydrate
• Authors of publication: Steiner, T.; Saenger, W.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 450 - 455
• a: 23.808 ± 0.004 Å
• b: 23.808 ± 0.004 Å
• c: 23.14 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13116 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 90
• Hermann-Mauguin space group symbol: P 4 21 2
• Hall space group symbol: P 4ab 2ab
• Residual factor for all reflections: 0.152
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for all reflections: 0.2618
• Weighted residual factors for significantly intense reflections: 0.2201
• Goodness-of-fit parameter for all reflections: 1.009
• Goodness-of-fit parameter for significantly intense reflections: 1.339
• Diffraction radiation wavelength: 1.54176 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No