Information card for entry 2209305

Structure parameters

• Chemical name: (S,S)-2,2'-(1,2-Ethanediyldiimino)dibutan-1-ol
• Formula: C10 H24 N2 O2
• Calculated formula: C10 H24 N2 O2
• SMILES: OC[C@H](NCCN[C@@H](CO)CC)CC
• Title of publication: (<i>S</i>,<i>S</i>)-2,2'-(1,2-Ethanediyldiimino)dibutan-1-ol
• Authors of publication: Bai, Guo-Yi; Zhang, Chen-Fang; Zhang, Yue-Cheng; Zeng, Tao; Li, Jiang-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2173 - o2174
• a: 7.157 ± 0.003 Å
• b: 8.44 ± 0.004 Å
• c: 10.193 ± 0.005 Å
• α: 90°
• β: 95.631 ± 0.008°
• γ: 90°
• Cell volume: 612.7 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes