Information card for entry 4020252

Structure parameters

• Formula: C81 H115.86 O29.93
• Calculated formula: C81 H101 O29.931
• Title of publication: Cryptands, Powerful Hosts for Paraquat Derivatives
• Authors of publication: Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 3231 - 3241
• a: 10.7938 ± 0.0013 Å
• b: 20.226 ± 0.0019 Å
• c: 21.431 ± 0.002 Å
• α: 63.096 ± 0.009°
• β: 83.239 ± 0.01°
• γ: 84.292 ± 0.009°
• Cell volume: 4137.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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