Information card for entry 2221967

Structure parameters

• Chemical name: 3,3'-[(<i>tert</i>-Butoxycarbonyl)azanediyl]dipropanoic acid
• Formula: C11 H19 N O6
• Calculated formula: C11 H19 N O6
• SMILES: O(C(C)(C)C)C(=O)N(CCC(=O)O)CCC(=O)O
• Title of publication: 3,3'-[(<i>tert</i>-Butoxycarbonyl)azanediyl]dipropanoic acid
• Authors of publication: Tao, Yuan; Liang, Yu-Feng; Guo, Xiao-Qiang; Mao, Zhi-Hua; Qi, Qing-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1408
• a: 10.632 ± 0.002 Å
• b: 14.559 ± 0.003 Å
• c: 18.257 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2826 ± 1 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.1759
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes