Information card for entry 4102965

Structure parameters

• Formula: C92 H42 Si
• Calculated formula: C92 H42 Si
• SMILES: C123c4c5c6c1c1c7c8C2(c2c9c4c4c%10c5c5c%11c6c6c1c1c7c7c%12c8c2c2c8c9c4c4c9c%10c5c5c%10c%11c6c6c1c1c7c7c%12c2c2c8c4c4c9c5c5c%10c6c1c1c7c2c4c51)C(C[Si]3(c1c(cccc1CC)CC)c1c(cccc1CC)CC)c1ccc(cc1)C(C)(C)C
• 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: 12.7665 ± 0.0005 Å
• b: 23.9369 ± 0.001 Å
• c: 18.2436 ± 0.0006 Å
• α: 90°
• β: 106.826 ± 0.001°
• γ: 90°
• Cell volume: 5336.4 ± 0.4 ų
• Cell temperature: 120.1 K
• Ambient diffraction temperature: 120.1 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: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No