Information card for entry 4100944

Structure parameters

• Common name: inverted cucurbit[7]uril tetrahydrofuran-clathrate tetradecahydrate
• Formula: C46 H78 N28 O29
• Calculated formula: C46 H42 N28 O29.003
• Title of publication: The Inverted Cucurbit[n]uril Family
• Authors of publication: Isaacs, Lyle; Park, Sang-Kyu; Liu, Simin; Ko, Young Ho; Selvapalam, Narayanan; Kim, Youngkook; Kim, Hyunuk; Zavalij, Peter Y.; Kim, Ghyung-Hwa; Lee, Heung-Soo; Kim, Kimoon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 51
• Pages of publication: 18000 - 18001
• a: 32.2 ± 0.005 Å
• b: 32.2 ± 0.005 Å
• c: 32.581 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 29255 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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