Information card for entry 4020249

Structure parameters

• Formula: C58 H77 F12 N3 O17 P2
• Calculated formula: C58 H77 F12 N3 O17 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].c12C(=O)OCc3cc4cc(c3)OCCOCCOCCOCCOc3cc(cc(c3)OCCOCCOCCOCCO4)COC(=O)c(n1)ccc2.c1(c2cc[n+](cc2)C)cc[n+](cc1)C.C(=O)(C)C.C(=O)(C)C.C(=O)(C)C
• 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: 13.9159 ± 0.0017 Å
• b: 21.217 ± 0.002 Å
• c: 21.768 ± 0.002 Å
• α: 90°
• β: 95.423 ± 0.009°
• γ: 90°
• Cell volume: 6398.3 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No