Information card for entry 4128425

Structure parameters

• Formula: C198 H198 O6
• Calculated formula: C198 H198 O6
• Title of publication: Bowl-Shaped Carbon Nanobelts Showing Size-Dependent Properties and Selective Encapsulation of C₇₀.
• Authors of publication: Lu, Xuefeng; Gopalakrishna, Tullimilli Y.; Han, Yi; Ni, Yong; Zou, Ya; Wu, Jishan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 14
• Pages of publication: 5934 - 5941
• a: 8.2267 ± 0.0005 Å
• b: 41.4797 ± 0.0019 Å
• c: 53.185 ± 0.003 Å
• α: 90°
• β: 92.465 ± 0.003°
• γ: 90°
• Cell volume: 18132.1 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.2727
• Residual factor for significantly intense reflections: 0.2283
• Weighted residual factors for significantly intense reflections: 0.5072
• Weighted residual factors for all reflections included in the refinement: 0.5377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.674
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No