Information card for entry 7113179

Structure parameters

• Common name: Tetramethyltetraphenyltetraallyloxy) Calix(4) Resorcinarene
• Formula: C80 H80 O8
• Calculated formula: C80 H80 O8
• Title of publication: Synthesis of resorcin[4]arene cavitands by ring-closing metathesis
• Authors of publication: Parulekar, Sumedh N.; Muppalla, Kirankirti; Fronczek, Frank R.; Bisht, Kirpal S.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 46
• Pages of publication: 4901 - 4903
• a: 12.36 ± 0.002 Å
• b: 13.691 ± 0.003 Å
• c: 19.796 ± 0.004 Å
• α: 103.132 ± 0.012°
• β: 92.301 ± 0.011°
• γ: 101.094 ± 0.011°
• Cell volume: 3189 ± 1.1 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.111
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102320
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No