Information card for entry 7111501

Structure parameters

• Common name: t-bu-calix[4]arene menthol
• Formula: C98 H132 O9
• Calculated formula: C98 H132 O9
• Title of publication: What we have learned from the study of solid p-tert-butylcalix[4]arene compounds
• Authors of publication: Ripmeester, J. A.; Enright, G. D.; Ratcliffe, C. I.; Udachin, K. A.; Moudrakovski, I. L.
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 48
• Pages of publication: 4986 - 4996
• a: 12.6609 ± 0.001 Å
• b: 12.8921 ± 0.001 Å
• c: 14.5868 ± 0.0012 Å
• α: 112.056 ± 0.001°
• β: 103.324 ± 0.002°
• γ: 90.492 ± 0.002°
• Cell volume: 2135.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0991
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.2118
• Weighted residual factors for all reflections included in the refinement: 0.2282
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No