Information card for entry 4029558

Structure parameters

• Formula: C52 H72 O8
• Calculated formula: C52 H72 O8
• Title of publication: Calix[4]arene derivatives monosubstituted at all four methylene bridges.
• Authors of publication: Columbus, Ishay; Biali, Silvio E.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2008
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 2598 - 2606
• a: 13.3204 ± 0.0016 Å
• b: 13.5084 ± 0.0016 Å
• c: 27.105 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4877.2 ± 1 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2381
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No