Information card for entry 4102966

Structure parameters

• Formula: C106 H58 Si
• Calculated formula: C106 H58 Si
• SMILES: [Si]1(C23c4c5c6c2c2C7(c8c3c3c9c4c4c%10c5c5c%11c6c6c2c2c7c7c%12c8c3c3c8c9c4c4c9c%10c5c5c%10c%11c6c6c2c2c7c7c%12c3c3c8c4c4c9c5c5c%10c6c2c2c7c3c4c52)C(C1)c1ccc(cc1)C(C)(C)C)(c1c(cccc1CC)CC)c1c(cccc1CC)CC.c1ccccc1C.c1ccccc1C
• 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: 19.694 ± 0.004 Å
• b: 13.366 ± 0.002 Å
• c: 24.195 ± 0.004 Å
• α: 90°
• β: 90.091 ± 0.008°
• γ: 90°
• Cell volume: 6368.8 ± 1.9 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: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No