Information card for entry 2226637

Structure parameters

• Common name: Mesityl-(2,4,6-trimethoxyphenyl)borinic acid
• Chemical name: Mesityl(2,4,6-trimethoxyphenyl)borinic acid
• Formula: C18 H23 B O4
• Calculated formula: C18 H23 B O4
• SMILES: B(O)(c1c(cc(cc1OC)OC)OC)c1c(cc(cc1C)C)C
• Title of publication: Mesityl(2,4,6-trimethoxyphenyl)borinic acid
• Authors of publication: Luliński, Sergiusz; Serwatowski, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1711 - o1712
• a: 6.7775 ± 0.0002 Å
• b: 13.0005 ± 0.0004 Å
• c: 19.6234 ± 0.0007 Å
• α: 90°
• β: 98.895 ± 0.003°
• γ: 90°
• Cell volume: 1708.24 ± 0.1 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: 0.0471
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes