Information card for entry 7703787

Structure parameters

• Formula: C20 H12 B2 O5
• Calculated formula: C20 H12 B2 O5
• Title of publication: Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.
• Authors of publication: Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 15
• Pages of publication: 4834 - 4842
• a: 7.4723 ± 0.0002 Å
• b: 8.4806 ± 0.0001 Å
• c: 13.3696 ± 0.0003 Å
• α: 87.668 ± 0.002°
• β: 82.555 ± 0.002°
• γ: 67.591 ± 0.002°
• Cell volume: 776.61 ± 0.03 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: 0.0362
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No