Information card for entry 7226624

Structure parameters

• Formula: C6 H2 N10 O10
• Calculated formula: C6 H2 N10 O10
• SMILES: C(c1nonc1/N=N/c1c(C(N(=O)=O)N(=O)=O)non1)(N(=O)=O)N(=O)=O
• Title of publication: Energetic dinitromethyl group functionalized azofurazan and its azofurazanates
• Authors of publication: Tang, Yongxing; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 94
• Pages of publication: 91477
• a: 7.3983 ± 0.0009 Å
• b: 7.6242 ± 0.0009 Å
• c: 11.7823 ± 0.0014 Å
• α: 90°
• β: 94.006 ± 0.002°
• γ: 90°
• Cell volume: 662.97 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0706
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No