Information card for entry 4105590

Structure parameters

• Common name: cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) di-terephthalate_16 H20
• Formula: C54 H42 N10 O24
• Calculated formula: C54 H42 N10 O24.02
• Title of publication: Environmentally Responsive Threading, Dethreading, and Fixation of Anion-Induced Pseudorotaxanes
• Authors of publication: Han-Yuan Gong; Brett M. Rambo; Elizabeth Karnas; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 1526 - 1533
• a: 10.421 ± 0.002 Å
• b: 11.556 ± 0.002 Å
• c: 14.011 ± 0.003 Å
• α: 98.76 ± 0.03°
• β: 109.73 ± 0.03°
• γ: 101.49 ± 0.03°
• Cell volume: 1511.7 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1687
• Residual factor for significantly intense reflections: 0.1062
• Weighted residual factors for significantly intense reflections: 0.2257
• Weighted residual factors for all reflections included in the refinement: 0.2814
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No