Information card for entry 7100061

Structure parameters

• Common name: t-butyl-calix[4]arene*3n-butylamine*2H2O
• Formula: C56 H93 N3 O6
• Calculated formula: C56 H93 N3 O6
• Title of publication: Extending the chemistry of p-t-butylcalix[4]arene with H-bonding and secondary coordination
• Authors of publication: John Ripmeester; Philip Brown; Gary D. Enright; Konstantin A. Udachin
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 12.9 ± 0.001 Å
• b: 22.217 ± 0.0017 Å
• c: 19.4755 ± 0.0015 Å
• α: 90°
• β: 94.224 ± 0.002°
• γ: 90°
• Cell volume: 5566.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No