Information card for entry 2222486

Structure parameters

• Common name: 2,4-Dibutoxyphenylboronic acid
• Chemical name: 2,4-Dibutoxyphenylboronic acid
• Formula: C14 H23 B O4
• Calculated formula: C14 H23 B O4
• SMILES: c1(ccc(cc1OCCCC)OCCCC)B(O)O
• Title of publication: 2,4-Dibutoxyphenylboronic acid
• Authors of publication: Dabrowski, Marek; Luliński, Sergiusz; Serwatowski, Janusz; Wilmowicz, Agnieszka
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1669
• a: 5.3129 ± 0.0008 Å
• b: 11.3611 ± 0.0013 Å
• c: 13.7362 ± 0.0017 Å
• α: 112.747 ± 0.011°
• β: 94.311 ± 0.011°
• γ: 100.385 ± 0.011°
• Cell volume: 742.46 ± 0.19 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: 0.049
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes