Information card for entry 2201347

Structure parameters

• Formula: C34 H36 B N O5
• Calculated formula: C34 H36 B N O5
• SMILES: O1[N+](=C(O[B-]1(c1ccccc1)c1ccccc1)C(O)(c1ccc(OC)cc1)c1ccc(OC)cc1)C1CCCCC1
• Title of publication: A diphenylboron chelate of an <i>N</i>-alkyl-2,2-diarylglycolohydroxamic acid
• Authors of publication: Wolfgang Kliegel; Ute Schumacher; Brian O. Patrick; Steven J. Rettig; James Trotter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o1095 - o1097
• a: 24.106 ± 0.002 Å
• b: 20.763 ± 0.002 Å
• c: 11.8193 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5915.7 ± 0.8 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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: 0.106
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections: 1.96
• Goodness-of-fit parameter for all reflections included in the refinement: 1.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No