Information card for entry 1559438

Structure parameters

• Common name: N-ethyl-N-nitroglycine
• Chemical name: N-ethyl-N-nitroglycine
• Formula: C4 H6 N2 O6
• Calculated formula: C4 H6 N2 O6
• SMILES: C(C(=O)O)N(CC(=O)O)N(=O)=O
• Title of publication: Oxygen-Rich Bis(trinitroethyl esters): Suitable Oxidizers as Potential Ammonium Perchlorate Replacements
• Authors of publication: Unger, Cornelia C.; Holler, Marcel; Krumm, Burkhard; Klapötke, Thomas M.
• Journal of publication: Energy & Fuels
• Year of publication: 2020
• a: 8.8051 ± 0.0004 Å
• b: 14.4941 ± 0.0007 Å
• c: 5.2206 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 666.26 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No