Information card for entry 4082383

Structure parameters

• Formula: C13 H18 O2 Si
• Calculated formula: C13 H18 O2 Si
• SMILES: C1CC(=O)CC[Si]1(c1ccc(cc1)OC)C
• Title of publication: Synthesis of 4-Silacyclohexan-1-ones and (4-Silacyclohexan-1-yl)amines Containing the Silicon Protecting Groups MOP (4-Methoxyphenyl), DMOP (2,4-Dimethoxyphenyl), or TMOP (2,4,6-Trimethoxyphenyl): Versatile Si- and C-Functional Building Blocks for Synthesis
• Authors of publication: Fischer, Markus; Burschka, Christian; Tacke, Reinhold
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 1020
• a: 7.2519 ± 0.0015 Å
• b: 6.9084 ± 0.0014 Å
• c: 25.883 ± 0.005 Å
• α: 90°
• β: 93.67 ± 0.03°
• γ: 90°
• Cell volume: 1294.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0472
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No