Information card for entry 4100943

Structure parameters

• Common name: inv-CB6
• Formula: C36 H56.4 Cl N24 O21.7
• Calculated formula: C36 H56.428 Cl N24 O21.714
• 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: 12.434 ± 0.002 Å
• b: 16.122 ± 0.003 Å
• c: 12.667 ± 0.002 Å
• α: 90°
• β: 104.923 ± 0.004°
• γ: 90°
• Cell volume: 2453.6 ± 0.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No