Information card for entry 4122416

Structure parameters

• Formula: C6 H4 N4 O6
• Calculated formula: C6 H4 N4 O6
• SMILES: O=N(=O)C(=N([O-])=O)N(=O)=O.c1[nH+]cccc1
• Title of publication: Tetranitroacetimidic Acid: A High Oxygen Oxidizer and Potential Replacement for Ammonium Perchlorate.
• Authors of publication: Vo, Thao T.; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 34
• Pages of publication: 11934
• a: 8.416 ± 0.004 Å
• b: 8.646 ± 0.004 Å
• c: 12.186 ± 0.005 Å
• α: 90°
• β: 90.944 ± 0.007°
• γ: 90°
• Cell volume: 886.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.98 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: 0.1349
• Residual factor for significantly intense reflections: 0.0987
• Weighted residual factors for significantly intense reflections: 0.2784
• Weighted residual factors for all reflections included in the refinement: 0.3233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No