Information card for entry 7153849

Structure parameters

• Common name: [2]pseudorotaxane Ph2IMPh-COOMe BF4
• Formula: C49 H54 B F4 N3 O10
• Calculated formula: C49 H54 B F4 N3 O10
• Title of publication: [2]Pseudorotaxane formation between rigid Y-shaped 2,4,5-triphenylimidazolium axles and [24]crown-8 ether wheels.
• Authors of publication: Farahani, Nasim; Zhu, Kelong; Noujeim, Nadim; Loeb, Stephen J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 27
• Pages of publication: 4824 - 4827
• a: 21.6481 ± 0.0007 Å
• b: 18.688 ± 0.0006 Å
• c: 24.7513 ± 0.0008 Å
• α: 90°
• β: 111.211 ± 0.0014°
• γ: 90°
• Cell volume: 9335 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No