Information card for entry 4020758

Structure parameters

• Formula: C93 H123 F9 N4 O12.5
• Calculated formula: C93.1 H93 F9 N4 O12.5
• Title of publication: Optically Pure Calix[6]tris-ammoniums: Syntheses and Host-Guest Properties toward Neutral Guests
• Authors of publication: Ulrich Darbost; Xianshun Zeng; Michel Giorgi; Ivan Jabin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 10552 - 10560
• a: 18.9165 ± 0.0002 Å
• b: 19.0923 ± 0.0003 Å
• c: 26.6298 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9617.6 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No