Information card for entry 4102964

Structure parameters

• Formula: C92 H42 Si
• Calculated formula: C92 H42 Si
• SMILES: [Si]1(C23c4c5c6c2c2c7c8C3(c3c9c4c4c%10c5c5c%11c6c6c2c2c7c7c%12c8c3c3c8c9c4c4c9c%10c5c5c%10c%11c6c6c2c2c7c7c%12c3c3c8c4c4c9c5c5c%10c6c2c2c7c3c4c52)C(C1)c1ccc(cc1)C(C)(C)C)(c1c(cccc1CC)CC)c1c(cccc1CC)CC
• Title of publication: Photochemical Addition of C60 with Siliranes: Synthesis and Characterization of Carbosilylated and Hydrosilylated C60 Derivatives
• Authors of publication: Junko Nagatsuka; Sachie Sugitani; Masahiro Kako; Tsukasa Nakahodo; Naomi Mizorogi; Midori O. Ishitsuka; Yutaka Maeda; Takahiro Tsuchiya; Takeshi Akasaka; Xingfa Gao; Shigeru Nagase
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 12106 - 12120
• a: 12.777 ± 0.003 Å
• b: 23.903 ± 0.005 Å
• c: 18.151 ± 0.004 Å
• α: 90°
• β: 106.495 ± 0.004°
• γ: 90°
• Cell volume: 5315 ± 2 ų
• Cell temperature: 100.1 K
• Ambient diffraction temperature: 100.1 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 significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.2675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No