Information card for entry 1558859

Structure parameters

• Formula: C132 H78
• Calculated formula: C132 H78
• SMILES: C123c4cc(ccc4c4ccccc14)c1cc4C5(c6c(c4cc1)cccc6)c1cc(ccc1c1ccccc51)c1cc4C5(c6c(c4cc1)cccc6)c1cc(ccc1c1ccccc51)c1cc4C5(c6c(c4cc1)cccc6)c1cc(ccc1c1ccccc51)c1cc4C5(c6c(c4cc1)cccc6)c1cc(c4cc2c(cc4)c2ccccc32)ccc1c1ccccc51.c1(ccccc1)C
• Title of publication: Chiral cyclic [n]spirobifluorenylenes: carbon nanorings consisting of helically arranged quaterphenyl rods illustrating partial units of woven patterns
• Authors of publication: Zhu, Kaige KZ; Kamochi, Kosuke KK; Kodama, Takuya; Tobisu, Mamoru; Amaya, Toru
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 23.1826 ± 0.0001 Å
• b: 23.1826 ± 0.0001 Å
• c: 44.5679 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23952.3 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 2
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No