Information card for entry 7101358

Structure parameters

• Common name: 5,11,17,23,29,35-Hexa-tert-butyl-37,39,41- trimethoxycalix(6)arene-38,40,42-tris-oxyacetyl-N-p-bromo-L- phenylalanine potassium salt
• Chemical name: 5,11,17,23,29,35-Hexa-tert-butyl-37,39,41- trimethoxycalix[6]arene-38,40,42-tris-oxyacetyl- N-p-bromo-L-phenylalanine potassium salt
• Formula: C837 H1092 Br24 K6 N24 O168
• Calculated formula: C837 H936 Br24 K6 N24 O168
• Title of publication: Self-assembled octameric cage constructed by potassium salt of p-tert-butylcalix[6]arene p-bromophenylalanine derivative in solid state
• Authors of publication: Tetsuaki Tanaka; Yoichi Hiyama; Toshimasa Ishida; Naoyoshi Maezaki; Hirofumi Ohishi; Koji Tsukamoto
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 34
• a: 43.215 ± 0.043 Å
• b: 43.215 ± 0.043 Å
• c: 43.397 ± 0.043 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 70187 ± 121 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 6
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.1522
• Residual factor for significantly intense reflections: 0.1437
• Weighted residual factors for significantly intense reflections: 0.3884
• Weighted residual factors for all reflections included in the refinement: 0.4079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 0.922 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No