Information card for entry 7111503

Structure parameters

• Common name: t-bu-calix[4]arene mesitylene
• Formula: C53 H68 O4
• Calculated formula: C53 H68 O4
• 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: 29.397 ± 0.004 Å
• b: 12.4786 ± 0.0017 Å
• c: 12.7216 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4666.7 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No