Information card for entry 7105892

Structure parameters

• Formula: C35 H46 F6 N O10 P
• Calculated formula: C35 H46 F6 N O10 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].O=C1OCCOCCOCCOc2ccccc2OCCOCCOCCOC(=O)C1.[NH2+](Cc1ccccc1)Cc1ccccc1
• Title of publication: Arranging pseudorotaxanes octahedrally around [60]fullerene
• Authors of publication: Sanjeev K. Dey; Florian Beuerle; Mark A. Olson; J. Fraser Stoddart
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1425
• a: 15.7752 ± 0.0006 Å
• b: 13.5842 ± 0.0005 Å
• c: 17.3986 ± 0.0007 Å
• α: 90°
• β: 102.141 ± 0.003°
• γ: 90°
• Cell volume: 3645 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0502
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No