Information card for entry 1572375

Structure parameters

• Formula: C720 H320 N80 O4
• Calculated formula: C720 H320 N80 O4
• Title of publication: Unexpected and divergent mechanosynthesis of furanoid-bridged fullerene dimers C120O and C120O2
• Authors of publication: Shao, Gang; Liu, Yuan-Yuan; Niu, Chuang; Yin, Zheng-Chun; Ye, Shi-Qi; Yao, Yang-Rong; Chen, Muqing; Chen, Jun-Shen; Xia, Xu-Ling; Yang, Shangfeng; Wang, Guan-Wu
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 14.3095 ± 0.0003 Å
• b: 29.8265 ± 0.0006 Å
• c: 32.5209 ± 0.0005 Å
• α: 105.679 ± 0.002°
• β: 94.669 ± 0.002°
• γ: 100.24 ± 0.002°
• Cell volume: 13027.4 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2327
• Weighted residual factors for all reflections included in the refinement: 0.2603
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No