Information card for entry 4134807

Structure parameters

• Formula: C73 H65 F6 N2 O8 P
• Calculated formula: C73 H65 F6 N2 O8 P
• 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: 11.5277 ± 0.0003 Å
• b: 25.8886 ± 0.0004 Å
• c: 21.7575 ± 0.0005 Å
• α: 90°
• β: 101.989 ± 0.003°
• γ: 90°
• Cell volume: 6351.6 ± 0.3 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2342
• Weighted residual factors for all reflections included in the refinement: 0.2557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No