Information card for entry 4503721

Structure parameters

• Formula: C90 H94 O23
• Calculated formula: C90 H84 O23
• Title of publication: Molecular Assembly of Distalp-H-Calix[4]dihydroquinone Units
• Authors of publication: Tedesco, Consiglia; Gregoli, Luisa; Immediata, Ivano; Gavuzzo, Enrico; Neri, Placido
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 3700
• a: 16.936 ± 0.005 Å
• b: 16.936 ± 0.005 Å
• c: 15.65 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3887 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No