Information card for entry 7220424

Structure parameters

• Formula: C8 H3 N5 O5
• Calculated formula: C8 H3 N5 O5
• Title of publication: Synthesis, Characterization and Properties of Heat-resistant Explosive Materials: Polynitroaromatic Substituted Difurazano[3,4-b:3’4’-e]pyrazines
• Authors of publication: Liu, Ning; Shu, Yuan-jie; Li, Hui; Zhai, Lian-Jie; Yanan, Li; Wang, Bozhou
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 5.8796 ± 0.0012 Å
• b: 8.9227 ± 0.0018 Å
• c: 18.378 ± 0.004 Å
• α: 90°
• β: 98.193 ± 0.003°
• γ: 90°
• Cell volume: 954.3 ± 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: 0.0347
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No