Information card for entry 7228619

Structure parameters

• Formula: C8 H11 N7 O5
• Calculated formula: C8 H11 N7 O5
• SMILES: n1nc([n-]c1N(=O)=O)N(=O)=O.n1(c[n+](cc1)C)CCO
• Title of publication: Synthesis, structure and properties of imidazolium-based energetic ionic liquids
• Authors of publication: Yang, Haijun; Liu, Yuejia; Ning, Hongli; Lei, Jianlei; Hu, Gang
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 53
• Pages of publication: 33231
• a: 6.7821 ± 0.0004 Å
• b: 9.5516 ± 0.0006 Å
• c: 10.388 ± 0.0005 Å
• α: 94.882 ± 0.004°
• β: 96.973 ± 0.004°
• γ: 110.449 ± 0.005°
• Cell volume: 619.95 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0429
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No