Information card for entry 7101286

Structure parameters

• Common name: C-pentylpyrogallol(4)arene gallium acetone adduct
• Chemical name: C-pentylpyrogallol[4]arene gallium acetone adduct
• Formula: C341.33 H403.33 Ga12 O137
• Calculated formula: C341.34 H403.34 Ga12 O137
• Title of publication: Hexameric C-alkylpyrogallol[4]arene Molecular Capsules Sustained by Metal-ion Coordination and Hydrogen Bonds
• Authors of publication: Robert M. McKinaly; Praveen K. Thallapally; J. L. Atwood
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 28
• a: 26.332 ± 0.005 Å
• b: 28.646 ± 0.005 Å
• c: 29.686 ± 0.005 Å
• α: 90°
• β: 104.993 ± 0.003°
• γ: 90°
• Cell volume: 21630 ± 7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1828
• Residual factor for significantly intense reflections: 0.1195
• Weighted residual factors for significantly intense reflections: 0.3365
• Weighted residual factors for all reflections included in the refinement: 0.4081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.445
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No