Information card for entry 2201357

Structure parameters

• Formula: C31 H35 B N O4
• Calculated formula: C31 H35 B N O4
• SMILES: [B]1(ON(C(=[O]1)C(c1ccccc1)CO)CC1(CCCCC1)O)(c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: Diphenylboron chelate of an 3-hydroxy-<i>N</i>-(2-hydroxyalkyl)hydroxamic 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: 11
• Pages of publication: o1215 - o1217
• a: 12.31 ± 0.001 Å
• b: 22.089 ± 0.002 Å
• c: 10.965 ± 0.001 Å
• α: 90°
• β: 108.26 ± 0.01°
• γ: 90°
• Cell volume: 2831.4 ± 0.5 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• 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: 0.158
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.054
• 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