Information card for entry 4128813

Structure parameters

• Formula: C100 H120 B6 F24 N26 O6 Zn3
• Calculated formula: C100 H120 B6 F24 N26 O6 Zn3
• 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: 52.6707 ± 0.0006 Å
• b: 18.785 ± 0.0002 Å
• c: 17.85193 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17663 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0767
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.2005
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No