Information card for entry 1559292

Structure parameters

• Formula: C5 H7 N O3
• Calculated formula: C5 H7 N O3
• SMILES: C1(=O)OC(=O)C(N1C)C
• Title of publication: Insight into the synthesis of N-methylated polypeptides
• Authors of publication: Muhl, Christian; Zengerling, Lydia; Groß, Jonathan; Eckhardt, Paul; Opatz, Till; Besenius, Pol; Barz, Matthias
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 43
• Pages of publication: 6919 - 6927
• a: 6.3429 ± 0.0009 Å
• b: 6.9256 ± 0.0011 Å
• c: 13.53 ± 0.002 Å
• α: 90°
• β: 99.769 ± 0.012°
• γ: 90°
• Cell volume: 585.73 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.175
• Residual factor for significantly intense reflections: 0.117
• Weighted residual factors for significantly intense reflections: 0.2821
• Weighted residual factors for all reflections included in the refinement: 0.3278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No