Information card for entry 7251239

Structure parameters

• Formula: C20 H15 K9 N20 O38
• Calculated formula: C20 H9 K9 N20 O35
• Title of publication: Synthesis of Energetic Materials Derived from Hydroxynitropyrazine
• Authors of publication: Jiang, Xiue; Xu, Zeyu; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 8.3085 ± 0.0003 Å
• b: 16.2606 ± 0.0005 Å
• c: 18.1267 ± 0.0007 Å
• α: 73.099 ± 0.001°
• β: 88.41 ± 0.001°
• γ: 86.483 ± 0.001°
• Cell volume: 2338.63 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No