Information card for entry 4128814

Structure parameters

• Formula: C251 H287 B18 F72 N54 O18 Zn9
• Calculated formula: C251 H287 B18 F72 N54 O18 Zn9
• Title of publication: Self-Sorting Assembly of Molecular Trefoil Knots of Single Handedness.
• Authors of publication: Zhong, Jiankang; Zhang, Liang; August, David P.; Whitehead, George F. S.; Leigh, David A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 36
• Pages of publication: 14249 - 14256
• a: 51.9276 ± 0.0007 Å
• b: 18.8837 ± 0.0002 Å
• c: 18.2355 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17881.5 ± 0.4 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1384
• Residual factor for significantly intense reflections: 0.1001
• Weighted residual factors for significantly intense reflections: 0.2847
• Weighted residual factors for all reflections included in the refinement: 0.3229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No