Information card for entry 4130592

Structure parameters

• Formula: C76 H82 F18 N6 O10 P3
• Calculated formula: C76 H82 F18 N6 O10 P3
• 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: 21.9335 ± 0.0005 Å
• b: 13.4484 ± 0.0003 Å
• c: 27.6224 ± 0.0006 Å
• α: 90°
• β: 113.137 ± 0.0007°
• γ: 90°
• Cell volume: 7492.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No