Information card for entry 4108661

Structure parameters

• Chemical name: C60CH2SiMe2Ph2
• Formula: C78 H26 Si2
• Calculated formula: C80.7 H26 Si2
• Title of publication: Regioselective Synthesis of 1,4-Di(organo)[60]fullerenes through DMF-assisted Monoaddition of Silylmethyl Grignard Reagents and Subsequent Alkylation Reaction
• Authors of publication: Yutaka Matsuo; Akihiko Iwashita; Yoko Abe; Chang-Zhi Li; Keiko Matsuo; Masahiko Hashiguchi; Eiichi Nakamura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 15429 - 15436
• a: 10.3602 ± 0.0002 Å
• b: 19.0203 ± 0.0004 Å
• c: 22.665 ± 0.0004 Å
• α: 90°
• β: 97.137 ± 0.001°
• γ: 90°
• Cell volume: 4431.63 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• 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: 0.168
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.2388
• Weighted residual factors for all reflections included in the refinement: 0.3024
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54173 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No