Information card for entry 4135042

Structure parameters

• Formula: C252 H163 B10 Co5 F40 N41 S10
• Calculated formula: C252 H136 B8 Co5 F32 N41 S10
• Title of publication: An <i>S</i>₁₀-symmetric 5-fold Interlocked [2]Catenane.
• Authors of publication: Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 12.7122 ± 0.0003 Å
• b: 60.0379 ± 0.0011 Å
• c: 36.2181 ± 0.0005 Å
• α: 90°
• β: 98.238 ± 0.002°
• γ: 90°
• Cell volume: 27356.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1484
• Residual factor for significantly intense reflections: 0.1131
• Weighted residual factors for significantly intense reflections: 0.3178
• Weighted residual factors for all reflections included in the refinement: 0.346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No