Information card for entry 4082387

Structure parameters

• Formula: C17 H22 O5 Si
• Calculated formula: C17 H22 O5 Si
• SMILES: c1(ccccc1)[Si](c1c(cc(cc1OC)OC)OC)(OC)OC
• 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: 7.8334 ± 0.0015 Å
• b: 9.767 ± 0.0018 Å
• c: 12.822 ± 0.003 Å
• α: 101.08 ± 0.02°
• β: 105.59 ± 0.02°
• γ: 102.96 ± 0.02°
• Cell volume: 886.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No