Information card for entry 7100000

Structure parameters

• Common name: 2,8,14,20-tetrapropyl-4,5,6,10,11,12,16,17,18,22,23,24 - dodecahydroxycalix(4)arene bis(4-(pyridin-4-yl)pyridine) propanone clathrate
• Formula: C63 H70 N4 O13
• Calculated formula: C63 H70 N4 O13
• Title of publication: Nano-dimensions for the pyrogallol[4]arene cavity
• Authors of publication: G.W.V.Cave; M.C.Ferrarelli; J.L.Atwood
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 21.48 ± 0.008 Å
• b: 15.086 ± 0.006 Å
• c: 18.231 ± 0.007 Å
• α: 90°
• β: 109.75 ± 0.006°
• γ: 90°
• Cell volume: 5560 ± 4 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