Information card for entry 4029902

Structure parameters

• Formula: C48.5 H60 O7
• Calculated formula: C48.5 H60 O7
• 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: 9.9505 ± 0.0006 Å
• b: 15.3979 ± 0.0009 Å
• c: 15.463 ± 0.009 Å
• α: 82.51 ± 0.001°
• β: 75.843 ± 0.001°
• γ: 77.234 ± 0.001°
• Cell volume: 2233.1 ± 1.3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.2431
• Weighted residual factors for all reflections included in the refinement: 0.2472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No