Information card for entry 7151978

Structure parameters

• Common name: C60C6H4Cl5Cl_toluene
• Chemical name: C60C6H4Cl5Cl_toluene
• Formula: C97 H28 Cl6
• Calculated formula: C97 H28 Cl6
• Title of publication: Facile fullerene modification: FeCl(3)-mediated quantitative conversion of C(60) to polyarylated fullerenes containing pentaaryl(chloro)[60]fullerenes.
• Authors of publication: Hashiguchi, Masahiko; Watanabe, Kazuhiro; Matsuo, Yutaka
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 18
• Pages of publication: 6417 - 6421
• a: 14.5009 ± 0.0018 Å
• b: 16.212 ± 0.002 Å
• c: 14.5134 ± 0.0018 Å
• α: 97.198 ± 0.002°
• β: 99.991 ± 0.002°
• γ: 86.541 ± 0.002°
• Cell volume: 3331.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1994
• Residual factor for significantly intense reflections: 0.1051
• Weighted residual factors for significantly intense reflections: 0.2953
• Weighted residual factors for all reflections included in the refinement: 0.3703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No