Information card for entry 1508018

Structure parameters

• Common name: #4169-C66Cl10/4
• Formula: C285 H23 Cl40
• Calculated formula: C285 H23 Cl40
• Title of publication: Chlorofullerenes featuring triple sequentially fused pentagons.
• Authors of publication: Tan, Yuan-Zhi; Li, Jia; Zhu, Feng; Han, Xiao; Jiang, Wen-Sheng; Huang, Rong-Bin; Zheng, Zhiping; Qian, Zhuo-Zhen; Chen, Rui-Ting; Liao, Zhao-Jiang; Xie, Su-Yuan; Lu, Xin; Zheng, Lan-Sun
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 269 - 273
• a: 12.3298 ± 0.0003 Å
• b: 18.7616 ± 0.0005 Å
• c: 19.4956 ± 0.0005 Å
• α: 96.637 ± 0.002°
• β: 100.007 ± 0.002°
• γ: 100.282 ± 0.002°
• Cell volume: 4319.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No