Information card for entry 7062908

Structure parameters

• Chemical name: 4-amino-3,8-dinitro-pyrazolo[5,1-c][1,2,4]triazine
• Formula: C5 H7 N7 O6
• Calculated formula: C5 H7 N7 O6
• Title of publication: Concise synthesis of a fused energetic pyrazolotriazine with good performance
• Authors of publication: Shi, Haichuan; Wang, Yuqing; Wang, Xinyu; Zhang, Xiaotian; Huang, Ming; Yang, Haijun; Luo, Zhenghang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 3
• Pages of publication: 1212 - 1216
• a: 9.2737 ± 0.0013 Å
• b: 6.2094 ± 0.0008 Å
• c: 9.4529 ± 0.0012 Å
• α: 90°
• β: 114.864 ± 0.016°
• γ: 90°
• Cell volume: 493.88 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1584
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.2129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No