Information card for entry 7100354

Structure parameters

• Formula: C102 H138 F12 N4 O34
• Calculated formula: C102 H114 F12 N4 O34
• Title of publication: Remarkably improved complexation of a bisparaquat by formation of a pseudocryptand-based [3]pseudorotaxane
• Authors of publication: Feihe Huang; Ilia A. Guzei; Jason W. Jones; Harry W. Gibson
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 11.1544 ± 0.0019 Å
• b: 15.267 ± 0.003 Å
• c: 16.196 ± 0.003 Å
• α: 106.345 ± 0.003°
• β: 93.511 ± 0.003°
• γ: 106.79 ± 0.003°
• Cell volume: 2503.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No