Information card for entry 4134803

Structure parameters

• Formula: C69 H58 Cl2 O8
• Calculated formula: C69 H58 Cl2 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: 15.7416 ± 0.0005 Å
• b: 18.3691 ± 0.0006 Å
• c: 18.8001 ± 0.0006 Å
• α: 90°
• β: 98.056 ± 0.003°
• γ: 90°
• Cell volume: 5382.6 ± 0.3 ų
• Cell temperature: 170 ± 0.15 K
• Ambient diffraction temperature: 170 ± 0.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.139
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2261
• Weighted residual factors for all reflections included in the refinement: 0.2763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No