Information card for entry 2201604

Structure parameters

• Formula: C25 H33 B3 N2 O5
• Calculated formula: C25 H33 B3 N2 O5
• SMILES: O1[B-](c2ccccc2)(OB(OB1c1ccccc1)c1ccccc1)O[NH+](CC)CC.O=CN(C)C
• Title of publication: Triphenylboroxin <i>N,N</i>-diethylhydroxylamine adduct (dimethylformamide solvate)
• Authors of publication: Wolfgang Kliegel; Klaus Drückler; Brian O. Patrick; Steven J. Rettig; James Trotter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o831 - o833
• a: 13.0046 ± 0.0007 Å
• b: 14.071 ± 0.001 Å
• c: 7.9235 ± 0.0008 Å
• α: 92.79 ± 0.02°
• β: 96.95 ± 0.02°
• γ: 71.85 ± 0.01°
• Cell volume: 1367.5 ± 0.2 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.164
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for all reflections: 0.264
• Weighted residual factors for all reflections included in the refinement: 0.264
• Goodness-of-fit parameter for all reflections: 1.4
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No