Information card for entry 2241812

Structure parameters

• Common name: 1-naphthalene boronic acid
• Chemical name: (Naphthalen-1-yl)boronic acid
• Formula: C10 H9 B O2
• Calculated formula: C10 H9 B O2
• SMILES: OB(O)c1cccc2ccccc12
• Title of publication: Two forms of (naphthalen-1-yl)boronic acid
• Authors of publication: Bemisderfer, Kayleigh; Nazarenko, Alexander Y.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 9
• Pages of publication: 1285 - 1289
• a: 9.6655 ± 0.0004 Å
• b: 6.2286 ± 0.0003 Å
• c: 29.1778 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1756.58 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes