Information card for entry 4122966

Structure parameters

• Formula: C40 H62 N2 Si
• Calculated formula: C40 H62 N2 Si
• SMILES: [Si]1(C2N(C(CC2(C)C)(C)C)c2c(C(C)C)cccc2C1(C)C)=C1N(C(CC1(C)C)(C)C)c1c(C(C)C)cccc1C(C)C
• Title of publication: Electron-Induced Conversion of Silylones to Six-Membered Cyclic Silylenes.
• Authors of publication: Roy, Sudipta; Mondal, Kartik Chandra; Krause, Lennard; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Meyer, Jann; Stückl, A Claudia; Maity, Bholanath; Koley, Debasis; Vasa, Suresh Kumar; Xiang, Sheng Qi; Linser, Rasmus; Roesky, Herbert W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141119074807003
• a: 9.273 ± 0.002 Å
• b: 16.959 ± 0.002 Å
• c: 22.383 ± 0.003 Å
• α: 90°
• β: 90.75 ± 0.02°
• γ: 90°
• Cell volume: 3519.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0908
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No