Information card for entry 7052839

Structure parameters

• Formula: C10 H7 N7 O11
• Calculated formula: C10 H7 N7 O11
• SMILES: n1(c(nc(N(=O)=O)c1)N(=O)=O)C.N(=O)(=O)c1c(O)c(N(=O)=O)cc(N(=O)=O)c1
• Title of publication: Synthesis, limitations, and thermal properties of energetically-substituted, protonated imidazolium picrate and nitrate salts and further comparison with their methylated analogs
• Authors of publication: Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Vincek, Adam S.; Katritzky, Alan R.; Thrasher, Joseph S.; Sun, Luyi; McCrary, Parker D.; Beasley, Preston A.; Kelley, Steven P.; Rogers, Robin D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 702
• a: 6.2866 ± 0.001 Å
• b: 11.646 ± 0.002 Å
• c: 10.3067 ± 0.0017 Å
• α: 90°
• β: 93.367 ± 0.003°
• γ: 90°
• Cell volume: 753.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 0.506
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No