Information card for entry 4067616

Structure parameters

• Formula: C35 H52 N4 Si
• Calculated formula: C35 H52 N4 Si
• SMILES: [Si]12(N(C(=C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)CC(=NNC2(C)C)C
• Title of publication: Unusual [3+1] Cycloaddition of a Stable Silylene with a 2,3-Diazabuta-1,3-diene versus [4+1] Cycloaddition toward a Buta-1,3-diene
• Authors of publication: Xiong, Yun; Yao, Shenglai; Driess, Matthias
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 987
• a: 8.9196 ± 0.0004 Å
• b: 12.262 ± 0.0005 Å
• c: 15.7788 ± 0.0007 Å
• α: 79.254 ± 0.004°
• β: 77.307 ± 0.004°
• γ: 85.832 ± 0.004°
• Cell volume: 1653.16 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No