Information card for entry 4134392

Structure parameters

• Formula: C724 H819 B48 Cl8 F192 N97 O110 Pd24
• Calculated formula: C724 H819 B48 Cl8 F192 N97 O110 Pd24
• Title of publication: A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition.
• Authors of publication: Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 12
• Pages of publication: 5504 - 5508
• a: 35.2184 ± 0.0004 Å
• b: 33.427 ± 0.0004 Å
• c: 37.3137 ± 0.0004 Å
• α: 90°
• β: 95.8588 ± 0.001°
• γ: 90°
• Cell volume: 43697.9 ± 0.9 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.2005
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2412
• Weighted residual factors for all reflections included in the refinement: 0.3146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No