Information card for entry 1508054

Structure parameters

• Chemical name: 1,2-dioxa-4,8-diaza-3-sila-spiro[2.5]oct-5-ene, 3-[1,3-dihydro-1,3,4,5-tetramethyl-2H-imidazol- 2-ylidene)]-4,8-Bis-[2,6- bis(1-methylethyl)phenyl]- 5-methyl-7-methylene-
• Formula: C39.5 H56 N4 O2 Si
• Calculated formula: C39.5 H56 N4 O2 Si
• SMILES: [Si]12(OO1)(N(C(=C)C=C(N2c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C(=C(N1C)C)C)C.c1ccccc1C
• 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: 17.0069 ± 0.0005 Å
• b: 13.0836 ± 0.0005 Å
• c: 18.0462 ± 0.0006 Å
• α: 90°
• β: 108.997 ± 0.004°
• γ: 90°
• Cell volume: 3796.8 ± 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: 0.123
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No