Information card for entry 4135043

Structure parameters

• Formula: C398 H305 B10 Cu10 F40 N40 O4.5 S20
• Calculated formula: C398 H305 B9 Cu10 F36 N40 O4.5 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: 35.3596 ± 0.0001 Å
• b: 34.5841 ± 0.0002 Å
• c: 34.619 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 42334.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.3027
• Weighted residual factors for all reflections included in the refinement: 0.3188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No