Information card for entry 7219604

Structure parameters

• Formula: C6 H2 N8 O11
• Calculated formula: C6 H2 N8 O11
• SMILES: C(c1c(Oc2c(C(N(=O)=O)N(=O)=O)non2)non1)(N(=O)=O)N(=O)=O
• Title of publication: A new family of energetic salts based on oxy-bridged bis(dinitromethyl)furazan: syntheses, characterization and properties
• Authors of publication: Li, Hui; Zhao, Feng-Qi; Wang, Bozhou; Zhai, Lian-jie; Lai, Wei-Peng; Liu, Ning
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.974 ± 0.003 Å
• b: 14.968 ± 0.003 Å
• c: 11.822 ± 0.002 Å
• α: 90°
• β: 99.26 ± 0.003°
• γ: 90°
• Cell volume: 2615.1 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No