Information card for entry 7152936

Structure parameters

• Formula: C70.5 H130 O42
• Calculated formula: C70.5 H130 O42
• Title of publication: Regioselective di- and tetra-functionalisation of γ-cyclodextrin using capping methodology.
• Authors of publication: Jouffroy, Matthieu; Armspach, Dominique; Matt, Dominique; Toupet, Loïc
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 22
• Pages of publication: 3699 - 3705
• a: 15.4853 ± 0.0008 Å
• b: 23.2543 ± 0.001 Å
• c: 27.7178 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9981.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2359
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.2129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.691
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No