Information card for entry 4130590

Structure parameters

• Formula: C150 H177 F36 N19 O20 P6
• Calculated formula: C150 H177 F36.012 N19 O20 P6.002
• Title of publication: Sliding-Ring Catenanes.
• Authors of publication: Fernando, Isurika R.; Frasconi, Marco; Wu, Yilei; Liu, Wei-Guang; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 32
• Pages of publication: 10214 - 10225
• a: 19.1189 ± 0.0005 Å
• b: 19.7795 ± 0.0006 Å
• c: 45.0588 ± 0.0012 Å
• α: 90°
• β: 93.421 ± 0.002°
• γ: 90°
• Cell volume: 17009.2 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.2042
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No