Information card for entry 7150399

Structure parameters

• Formula: C76 H82 B4 F16 N8 O9
• Calculated formula: C76 H82 B4 F16 N8 O9
• Title of publication: A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.
• Authors of publication: Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 667 - 680
• a: 13.598 ± 0.002 Å
• b: 16.807 ± 0.003 Å
• c: 17.859 ± 0.003 Å
• α: 87.625 ± 0.003°
• β: 87.329 ± 0.003°
• γ: 70.059 ± 0.002°
• Cell volume: 3831.2 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1889
• Residual factor for significantly intense reflections: 0.1039
• Weighted residual factors for significantly intense reflections: 0.2836
• Weighted residual factors for all reflections included in the refinement: 0.3487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No