Information card for entry 4029901

Structure parameters

• Formula: C50 H64 O4.5
• Calculated formula: C50 H64 O4.5
• Title of publication: Incorporation of Three or Two Distal Double Bonds at the Methylene Bridges of the Calix[4]arene Scaffold.
• Authors of publication: Shalev, Ori; Biali, Silvio E.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 18
• Pages of publication: 8584 - 8591
• a: 12.479 ± 0.001 Å
• b: 13.945 ± 0.001 Å
• c: 14.645 ± 0.001 Å
• α: 90°
• β: 113.72 ± 0.001°
• γ: 90°
• Cell volume: 2333.2 ± 0.3 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 3
• 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: 0.0973
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1954
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No