Information card for entry 2004438

Structure parameters

• Formula: C8 H13 N O5
• Calculated formula: C8 H13 N O5
• SMILES: COC(=O)CN(C(=O)C)CC(=O)OC
• Title of publication: <i>N</i>-Acetyliminodiacetate Dimethyl Ester
• Authors of publication: Prayzner, P.; Ojadi, E. C. A.; Golen, J. A.; Williard, P. G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 112 - 113
• a: 9.411 ± 0.002 Å
• b: 14.457 ± 0.003 Å
• c: 7.853 ± 0.002 Å
• α: 90°
• β: 105.95 ± 0.03°
• γ: 90°
• Cell volume: 1027.3 ± 0.4 ų
• Cell temperature: 297 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 significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.0603
• Goodness-of-fit parameter for significantly intense reflections: 1.51
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No