Information card for entry 4128243

Structure parameters

• Formula: C73 H12
• Calculated formula: C73 H12
• Title of publication: An Unconventional Hydrofullerene C₆₆H₄ with Symmetric Heptagons Retrieved in Low-Pressure Combustion.
• Authors of publication: Tian, Han-Rui; Chen, Miao-Miao; Wang, Kai; Chen, Zuo-Chang; Fu, Chao-Yong; Zhang, Qianyan; Li, Shu-Hui; Deng, Shun-Liu; Yao, Yang-Rong; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 16
• Pages of publication: 6651 - 6657
• a: 13.5363 ± 0.0009 Å
• b: 15.7638 ± 0.0013 Å
• c: 17.5101 ± 0.0013 Å
• α: 75.265 ± 0.007°
• β: 78.398 ± 0.006°
• γ: 86.169 ± 0.006°
• Cell volume: 3539.2 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1469
• Residual factor for significantly intense reflections: 0.1094
• Weighted residual factors for significantly intense reflections: 0.3281
• Weighted residual factors for all reflections included in the refinement: 0.3511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No