Information card for entry 4315296

Structure parameters

• Common name: C76Cl34
• Formula: C76 Cl34
• Calculated formula: C76 Cl34
• SMILES: c12c3c4c5c6c1c1c7c8c2c2c9c3c3c%10c4C4(C%11(C5(C5(C%12=C%13C%14(C%15(C5=C%11C5=C%11C4(C%10(C4=C%10C3(C9(C3=C9C%16(C%17(C%18C3(C2(C2(C8(C3(C7(C7=C(C1(C6%12Cl)Cl)C%13(C1(C7(C6(C3=C(C=%182)C2(C6(c3c1c%14c1C%15(C5(C5(C%11(C4(C(C%109Cl)(c4c%16c(C%172Cl)c3c1c54)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
• Title of publication: C76Cl34: High Chlorination of the Inherent Chiral Fullerene with a Helical Configuration
• Authors of publication: Hua Liang; Yuan-Zhi Tan; Ting Zhou; Zhen-Liang Chen; Su-Yuan Xie; Rong-Bin Huang; Lan-Sun Zheng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3089 - 3091
• a: 13.821 ± 0.007 Å
• b: 19.569 ± 0.009 Å
• c: 25.085 ± 0.012 Å
• α: 90°
• β: 91.879 ± 0.011°
• γ: 90°
• Cell volume: 6781 ± 6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2119
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.2864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No