Information card for entry 4134808

Structure parameters

• Formula: C77 H77 O8
• Calculated formula: C77 H77 O8
• Title of publication: Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.
• Authors of publication: Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 11.8713 ± 0.0002 Å
• b: 21.3316 ± 0.0003 Å
• c: 24.2532 ± 0.0004 Å
• α: 90°
• β: 100.206 ± 0.001°
• γ: 90°
• Cell volume: 6044.55 ± 0.17 ų
• Cell temperature: 169.98 ± 0.16 K
• Ambient diffraction temperature: 169.98 ± 0.16 K
• Number of distinct elements: 3
• 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: 0.0928
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.2054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No