Information card for entry 7156507

Structure parameters

• Formula: C6 H2 N8 O2
• Calculated formula: C6 H2 N8 O2
• Title of publication: Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.
• Authors of publication: Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 43
• Pages of publication: 8034 - 8037
• a: 5.7793 ± 0.0006 Å
• b: 11.6585 ± 0.0015 Å
• c: 5.7805 ± 0.0006 Å
• α: 90°
• β: 100.28 ± 0.004°
• γ: 90°
• Cell volume: 383.23 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0838
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No