Information card for entry 4102389

Structure parameters

• Formula: C60 Cl10
• Calculated formula: C60 Cl10
• SMILES: [C@@]12(C3=C4C5=C1[C@@]1(c6c7[C@]2(C2=C8[C@]3(C3=C9[C@@]8([C@]8(c%10c2c7c2c7c6c6c1c1[C@@]5(c5c%11[C@@]4([C@@]3(c3c4[C@@]9(c9c8c8c%10c2c2c7c7c6c6c1c5c1c(c%113)c3c4c9c4c8c2c2c7c6c1c3c42)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
• Title of publication: Soluble Chlorofullerenes C~60~Cl~2,4,6,8,10~. Synthesis, Purification, Compositional Analysis, Stability, and Experimental/Theoretical Structure Elucidation, Including the X-ray Structure of C~1~-C~60~Cl~10~
• Authors of publication: Igor V. Kuvychko; Alexey V. Streletskii; Natalia B. Shustova; Konrad Seppelt; Thomas Drewello; Alexey A. Popov; Steven H. Strauss; Olga V. Boltalina
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 6443 - 6462
• a: 9.997 ± 0.0014 Å
• b: 20.717 ± 0.004 Å
• c: 39.968 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8278 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 2
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1418
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.2049
• Weighted residual factors for all reflections included in the refinement: 0.2251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No