Information card for entry 1559439

Structure parameters

• Common name: nitraminodiacetic acid bis(2,2,2-trinitroethylester)
• Chemical name: nitraminodiacetic acid bis(2,2,2-trinitroethylester)
• Formula: C8 H8 N8 O18
• Calculated formula: C8 H8 N8 O18
• SMILES: O(CC(N(=O)=O)(N(=O)=O)N(=O)=O)C(=O)CN(N(=O)=O)CC(=O)OCC(N(=O)=O)(N(=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: 5.8695 ± 0.0007 Å
• b: 17.401 ± 0.002 Å
• c: 18.116 ± 0.002 Å
• α: 88.36 ± 0.009°
• β: 86.992 ± 0.01°
• γ: 84.906 ± 0.01°
• Cell volume: 1839.9 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2014
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No