Information card for entry 2217611

Structure parameters

• Common name: 2-methoxy-1,3-phenylenediboronic acid
• Chemical name: (2-Methoxy-1,3-phenylene)diboronic acid
• Formula: C7 H10 B2 O5
• Calculated formula: C7 H10 B2 O5
• SMILES: B(O)(O)c1c(OC)c(B(O)O)ccc1
• Title of publication: (2-Methoxy-1,3-phenylene)diboronic acid
• Authors of publication: Dąbrowski, Marek; Luliński, Sergiusz; Serwatowski, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o414 - o415
• a: 5.0261 ± 0.0006 Å
• b: 7.6475 ± 0.0012 Å
• c: 12.4535 ± 0.0019 Å
• α: 79.01 ± 0.013°
• β: 81.898 ± 0.012°
• γ: 77.246 ± 0.012°
• Cell volume: 455.85 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0353
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes