Information card for entry 7100806

Structure parameters

• Formula: C34.5 H42 Br Cs O15.25
• Calculated formula: C34.5 H42 Br Cs O15.25
• Title of publication: Pyrogallarenes as alkali metal receptors: The role of cation-pi interactions for complexation
• Authors of publication: M. Nissinen; A. Ahman
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 9.3414 ± 0.0001 Å
• b: 23.2823 ± 0.0004 Å
• c: 17.4432 ± 0.0003 Å
• α: 90°
• β: 93.767 ± 0.0012°
• γ: 90°
• Cell volume: 3785.51 ± 0.1 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No