Information card for entry 7113181

Structure parameters

• Common name: Tetrabromo tetranonyl tetra-allyloxy Calix(4)resorcinarene
• Formula: C88 H124 Br4 O8
• Calculated formula: C88 H124 Br4 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: 26.966 ± 0.003 Å
• b: 18.963 ± 0.002 Å
• c: 16.2325 ± 0.0015 Å
• α: 90°
• β: 91.015 ± 0.005°
• γ: 90°
• Cell volume: 8299.3 ± 1.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.13
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102322
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No