Information card for entry 4127833

Structure parameters

• Formula: C110 H62 O12
• Calculated formula: C110 H62 O12
• Title of publication: Assembly of a Porous Supramolecular Polyknot from Rigid Trigonal Prismatic Building Blocks.
• Authors of publication: Li, Penghao; Chen, Zhijie; Ryder, Matthew R.; Stern, Charlotte L.; Guo, Qing-Hui; Wang, Xingjie; Farha, Omar K.; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 33
• Pages of publication: 12998 - 13002
• a: 37.888 ± 0.002 Å
• b: 37.888 ± 0.002 Å
• c: 54.616 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 67898 ± 7 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 3
• Space group number: 190
• Hermann-Mauguin space group symbol: P -6 2 c
• Hall space group symbol: P -6c -2c
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 0.641
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No