Information card for entry 1508055

Structure parameters

• Chemical name: 3,4-dihydro-1H-[1,3,2]diazasiline 2-oxide, 1,3-bis[2,6-bis(1-methylethyl)phenyl]-2- [1,3-dihydro-4,5-dimethyl-1,3-bis(1-methylethyl)-2H- imidazol-2-ylidene]-4-methyl-6-methylene-
• Formula: C40 H60 N4 O2 Si
• Calculated formula: C40 H60 N4 O2 Si
• SMILES: [Si]1(=O)([O]=C2N(C(=C(N2C(C)C)C)C)C(C)C)N(C(=C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: From silicon(II)-based dioxygen activation to adducts of elusive dioxasiliranes and sila-ureas stable at room temperature.
• Authors of publication: Xiong, Yun; Yao, Shenglai; Müller, Robert; Kaupp, Martin; Driess, Matthias
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 7
• Pages of publication: 577 - 580
• a: 12.1047 ± 0.0003 Å
• b: 16.482 ± 0.0006 Å
• c: 19.5115 ± 0.0006 Å
• α: 90°
• β: 94.666 ± 0.003°
• γ: 90°
• Cell volume: 3879.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1256
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No