Information card for entry 4020716

Structure parameters

• Formula: C30 H36 N12 O10
• Calculated formula: C30 H36 N12 O10
• 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: 9.6635 ± 0.0003 Å
• b: 16.6677 ± 0.0005 Å
• c: 21.0632 ± 0.0006 Å
• α: 90°
• β: 94.878 ± 0.001°
• γ: 90°
• Cell volume: 3380.33 ± 0.17 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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