Information card for entry 4503723

Structure parameters

• Formula: C65 H65 N O13
• Calculated formula: C65 H65 N O13
• 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: 15.232 ± 0.009 Å
• b: 17.326 ± 0.004 Å
• c: 20.892 ± 0.005 Å
• α: 90°
• β: 95 ± 0.03°
• γ: 90°
• Cell volume: 5493 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2387
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.489
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No