Information card for entry 2231622

Structure parameters

• Chemical name: 2-[(<i>tert</i>-Butoxycarbonylamino)oxy]acetic acid
• Formula: C7 H13 N O5
• Calculated formula: C7 H13 N O5
• SMILES: N(OCC(=O)O)C(=O)OC(C)(C)C
• Title of publication: 2-[(<i>tert</i>-Butoxycarbonylamino)oxy]acetic acid
• Authors of publication: Zhang, Jing-Yu; Tong, Yan; Wang, Shengqi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2324
• a: 5.9973 ± 0.0005 Å
• b: 10.1292 ± 0.0013 Å
• c: 15.6445 ± 0.0017 Å
• α: 90°
• β: 90.57 ± 0.001°
• γ: 90°
• Cell volume: 950.32 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1039
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.2102
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes