Information card for entry 4122419

Structure parameters

• Formula: C3 H4 F0.5 N6 O13 S
• Calculated formula: C4 H7 F6 N5 O13 S2
• SMILES: O=N(=O)C(N(=O)=O)(N(=O)=O)C(=[NH2+])N.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.[OH3+]
• 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: 5.8369 ± 0.0003 Å
• b: 10.0255 ± 0.0006 Å
• c: 14.6488 ± 0.001 Å
• α: 99.062 ± 0.003°
• β: 90.651 ± 0.003°
• γ: 97.731 ± 0.003°
• Cell volume: 838.36 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.02 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No