Information card for entry 4130591

Structure parameters

• Formula: C298 H338 N16 O41
• Calculated formula: C298 H338 N16 O41
• 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: 20.1201 ± 0.0009 Å
• b: 26.1627 ± 0.0012 Å
• c: 26.488 ± 0.0012 Å
• α: 87.674 ± 0.003°
• β: 69.262 ± 0.002°
• γ: 78.983 ± 0.003°
• Cell volume: 12793.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1261
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.2244
• Weighted residual factors for all reflections included in the refinement: 0.2608
• 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: Yes
• Has Fobs: No