Information card for entry 7105950

Structure parameters

• Formula: C60 H72 F6 N5 O17 P
• Calculated formula: C60 H72 F6 N5 O17 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].O=C1NCCOc2ccc(OCCOCCOCCOc3ccc(OCCNC(=O)c4cc1ccc4)cc3)cc2.O=C1NCCOc2ccc(OCCOCCOCCOc3ccc(OCCNC(=O)c4cc1c[n+](c4)C)cc3)cc2.O
• Title of publication: A New Synthetic Route to Chloride Selective [2]Catenanes
• Authors of publication: L; Laura Hancock; Lydia Gilday; Nathan Kilah; Christopher Serpell; Paul Beer
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1725
• a: 9.7482 ± 0.0001 Å
• b: 14.2731 ± 0.0002 Å
• c: 23.7801 ± 0.0003 Å
• α: 74.5452 ± 0.0005°
• β: 78.3493 ± 0.0005°
• γ: 85.1917 ± 0.0005°
• Cell volume: 3121.77 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0785
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections: 0.1321
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9462
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No