Information card for entry 4135044

Structure parameters

• Formula: C253 H161.5 B22 F48 N40.5 O32 S26 Zn5
• Calculated formula: C242.2 H160 B24 F21.6 N36.1 O14.4 S17.2 Zn5
• 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: 24.5549 ± 0.0002 Å
• b: 26.508 ± 0.0003 Å
• c: 47.3015 ± 0.0005 Å
• α: 90°
• β: 93.073 ± 0.001°
• γ: 90°
• Cell volume: 30744.3 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1878
• Residual factor for significantly intense reflections: 0.1263
• Weighted residual factors for significantly intense reflections: 0.3435
• Weighted residual factors for all reflections included in the refinement: 0.3866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No