Information card for entry 2225744

Structure parameters

• Chemical name: {2-Hydroxy-6-[(2-oxidophenyl)iminomethyl-κ^2^<i>N</i>,<i>O</i>]phenolato- κ<i>O</i>^1^}phenylboron
• Formula: C19 H14 B N O3
• Calculated formula: C19 H14 B N O3
• SMILES: [B]12([N](=Cc3c(O1)c(O)ccc3)c1c(O2)cccc1)c1ccccc1
• Title of publication: {2-Hydroxy-6-[(2-oxidophenyl)iminomethyl-κ^2^<i>N</i>,<i>O</i>]phenolato-κ<i>O</i>^1^}phenylboron
• Authors of publication: Vega, Araceli; Tlahuext, Hugo; Höpfl, Herbert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o758
• a: 14.7245 ± 0.0013 Å
• b: 11.196 ± 0.001 Å
• c: 18.406 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3034.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1166
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes