Information card for entry 4103252

Structure parameters

• Formula: C25 H29 N Si
• Calculated formula: C25 H29 N Si
• SMILES: C1(=N[Si](C(=C1C#Cc1ccc(cc1)C)c1ccc(cc1)C)(C)C)C(C)(C)C
• Title of publication: Cleavage and Reorganization of Zr-C/Si-C Bonds Leading to Zr/Si-N Organometallic and Heterocyclic Compounds
• Authors of publication: Shaoguang Zhang; Wen-Xiong Zhang; Jing Zhao; Zhenfeng Xi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14042 - 14045
• a: 14.593 ± 0.003 Å
• b: 8.5806 ± 0.0017 Å
• c: 17.839 ± 0.004 Å
• α: 90°
• β: 91.89 ± 0.03°
• γ: 90°
• Cell volume: 2232.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1413
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No