Information card for entry 2224461

Structure parameters

• Chemical name: β-cyclodextrin 10.41-hydrate
• Formula: C42 H90.82 O45.41
• Calculated formula: C42 H82 O45.409
• Title of publication: β-Cyclodextrin 10.41-hydrate
• Authors of publication: Seidel, Rüdiger W.; Koleva, Bojidarka B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3162 - o3163
• a: 20.8353 ± 0.0004 Å
• b: 9.9397 ± 0.0001 Å
• c: 15.2043 ± 0.0003 Å
• α: 90°
• β: 110.63 ± 0.002°
• γ: 90°
• Cell volume: 2946.85 ± 0.09 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.038
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes