Information card for entry 2210698

Structure parameters

• Chemical name: (R*,S*)-2,2'-(Ethane-1,2-diyldiimino)dibutan-1-ol
• Formula: C10 H24 N2 O2
• Calculated formula: C10 H24 N2 O2
• SMILES: CC[C@H](NCCN[C@@H](CO)CC)CO
• Title of publication: (<i>R</i>,<i>S</i>)-2,2'-(Ethane-1,2-diyldiimino)dibutan-1-ol
• Authors of publication: Bai, Guo-Yi; Zhang, Chen-Fang; Qin, Xin-Ying; Zhang, Yue-Cheng; Zeng, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4222 - o4223
• a: 4.6334 ± 0.0013 Å
• b: 5.4777 ± 0.0014 Å
• c: 23.161 ± 0.002 Å
• α: 90°
• β: 95.336 ± 0.006°
• γ: 90°
• Cell volume: 585.3 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes