Information card for entry 7251237

Structure parameters

• Formula: C16 H25 N19 O14
• Calculated formula: C16 H25 N19 O14
• 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: 4.8568 ± 0.0002 Å
• b: 7.9049 ± 0.0003 Å
• c: 18.9454 ± 0.0009 Å
• α: 79.632 ± 0.002°
• β: 87.383 ± 0.002°
• γ: 77.432 ± 0.001°
• Cell volume: 698.33 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No