Information card for entry 7156506

Structure parameters

• Formula: C6 H6 N8 O2
• Calculated formula: C6 H6 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: 8.0308 ± 0.0012 Å
• b: 7.8229 ± 0.001 Å
• c: 12.8172 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 805.23 ± 0.19 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1114
• 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