Information card for entry 7101099

Structure parameters

• Common name: C-methyl-calix(4)resorcinare, water, 2-ethylhexanol complex
• Formula: C264 H358 O59
• Calculated formula: C240 H294 O56
• Title of publication: An achiral form of the hexameric resorcin[4]arene capsule sustained by hydrogen bonding with alcohols
• Authors of publication: K.T. Holman; Onome Ugono
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 34.976 ± 0.003 Å
• b: 34.976 ± 0.003 Å
• c: 18.246 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19330 ± 4 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No