Information card for entry 7249599

Structure parameters

• Formula: C6 H6 F3 N5 O4
• Calculated formula: C6 H6 F3 N5 O4
• Title of publication: 3,5-Dinitro-1-(3,3,3-trifluoropropyl)-1H-pyrazol-4-amine as insensitive and thermostable energetic melt-castable materials
• Authors of publication: Yin, Dangyue; Yang, Boqian; Lv, Hongyu; Song, Siwei; Wang, Yi; Zhang, Qinghua
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 11.6467 ± 0.0003 Å
• b: 5.656 ± 0.0001 Å
• c: 31.9545 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2104.96 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No