Information card for entry 7241141

Structure parameters

• Formula: C6 H2 N8 O6
• Calculated formula: C6 H2 N8 O6
• SMILES: N(=O)(=O)c1nonc1c1non(=O)c1c1nonc1N
• Title of publication: A comparative study of the structures, thermal stabilities and energetic performances of two energetic regioisomers: 3(4)-(4-aminofurazan-3-yl)-4(3)-(4-nitrofurazan-3-yl)furoxan
• Authors of publication: Zhang, Jiarong; Bi, Fuqiang; Zhai, Lianjie; Huo, Huan; Yang, Zhi; Wang, Bozhou
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 53
• Pages of publication: 31800 - 31807
• a: 7.7624 ± 0.0012 Å
• b: 13.253 ± 0.002 Å
• c: 10.4256 ± 0.0016 Å
• α: 90°
• β: 104.1 ± 0.002°
• γ: 90°
• Cell volume: 1040.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No