Information card for entry 7228618

Structure parameters

• Formula: C12 H12 N6 O10
• Calculated formula: C12 H12 N6 O10
• SMILES: O(CCn1c[n+](cc1)C)N(=O)=O.[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O
• 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: 11.0072 ± 0.0013 Å
• b: 8.8756 ± 0.0007 Å
• c: 17.3685 ± 0.0017 Å
• α: 90°
• β: 99.588 ± 0.01°
• γ: 90°
• Cell volume: 1673.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.2069
• Weighted residual factors for all reflections included in the refinement: 0.2307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No