Information card for entry 4070006

Structure parameters

• Formula: C4 H12 O3 Si
• Calculated formula: C4 H12 O3 Si
• SMILES: [Si](C)(CO)(CO)CO
• Title of publication: Synthesis and Characterization of New Trifunctional Tetraorganylsilanes of the Formula Types MeSi(CH2X)3, MeSi(CH2X)2CH2X′, and MeSi(CH2X)(CH2X′)CH2X′′
• Authors of publication: Troegel, Dennis; Möller, Frank; Burschka, Christian; Tacke, Reinhold
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 19
• Pages of publication: 5765
• a: 7.24 ± 0.0002 Å
• b: 8.4818 ± 0.0003 Å
• c: 11.9853 ± 0.0004 Å
• α: 90°
• β: 99.429 ± 0.002°
• γ: 90°
• Cell volume: 726.05 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No