Information card for entry 2311207

Structure parameters

• Chemical name: 2-Methoxy-3-(trimethylsilyl)phenylboronic acid
• Formula: C10 H17 B O3 Si
• Calculated formula: C10 H17 B O3 Si
• SMILES: [Si](c1c(OC)c(ccc1)B(O)O)(C)(C)C
• Title of publication: 2-Meth-oxy-3-(tri-methyl-sil-yl)phenyl-boronic acid.
• Authors of publication: Durka, Krzysztof; Luliński, Sergiusz; Serwatowski, Janusz
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 12
• Pages of publication: o1818
• a: 9.1832 ± 0.0011 Å
• b: 9.7082 ± 0.001 Å
• c: 14.1415 ± 0.0016 Å
• α: 90°
• β: 104.26 ± 0.01°
• γ: 90°
• Cell volume: 1221.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No