Information card for entry 4103249

Structure parameters

• Formula: C30 H43 N O2 Si
• Calculated formula: C30 H43 N O2 Si
• SMILES: [Si](O)(/C(=C1/C(=C\c2ccccc2)C(OC1(N)C(C)(C)C)(CCC)CCC)c1ccccc1)(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: 8.833 ± 0.004 Å
• b: 11.184 ± 0.005 Å
• c: 29.474 ± 0.012 Å
• α: 90°
• β: 92.658 ± 0.005°
• γ: 90°
• Cell volume: 2909 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0761
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.267
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No