Information card for entry 2241813

Structure parameters

• 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: 14.8469 ± 0.0011 Å
• b: 6.1023 ± 0.0004 Å
• c: 9.6797 ± 0.0007 Å
• α: 90°
• β: 93.978 ± 0.003°
• γ: 90°
• Cell volume: 874.87 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0426
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes