Information card for entry 4020713

Structure parameters

• Formula: C26 H32 N8 O14
• Calculated formula: C26 H32 N8 O14
• Title of publication: Cucurbit[n]uril Analogues: Synthetic and Mechanistic Studies
• Authors of publication: Jason Lagona; James C. Fettinger; Lyle Isaacs
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 10381 - 10392
• a: 7.7036 ± 0.0013 Å
• b: 10.137 ± 0.0017 Å
• c: 18.605 ± 0.003 Å
• α: 90°
• β: 94.481 ± 0.003°
• γ: 90°
• Cell volume: 1448.4 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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