Information card for entry 2224218

Structure parameters

• Chemical name: Di-<i>tert</i>-butyl 2,2'-[(2-hydroxyethyl)azanediyl]diacetate
• Formula: C14 H27 N O5
• Calculated formula: C14 H27 N O5
• SMILES: CC(OC(=O)CN(CC(=O)OC(C)(C)C)CCO)(C)C
• Title of publication: Di-<i>tert</i>-butyl 2,2'-[(2-hydroxyethyl)azanediyl]diacetate
• Authors of publication: Yang, Yang; Zhu, Lin; Zhang, Huabei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3167
• a: 11.9767 ± 0.0004 Å
• b: 9.7187 ± 0.0003 Å
• c: 29.3476 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3416 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0776
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes