Information card for entry 4135040

Structure parameters

• Formula: C382.5 H313.75 B10 Cu10 F40 N56.25 O2.5 S20
• Calculated formula: C382.5 H297.85 B10 Cu10 F40 N56.25 O2.5 S20
• 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: 33.308 ± 0.007 Å
• b: 28.413 ± 0.006 Å
• c: 44.063 ± 0.009 Å
• α: 90°
• β: 110.98 ± 0.03°
• γ: 90°
• Cell volume: 38936 ± 16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2677
• Weighted residual factors for all reflections included in the refinement: 0.2851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No