Information card for entry 7150398

Structure parameters

• Formula: C28 H46 B2 F8 N2 O8
• Calculated formula: C28 H46 B2 F8 N2 O8
• 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: 17.433 ± 0.005 Å
• b: 20.012 ± 0.005 Å
• c: 19.631 ± 0.005 Å
• α: 90°
• β: 93.572 ± 0.004°
• γ: 90°
• Cell volume: 6835 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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
• Residual factor for all reflections: 0.1374
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No