Information card for entry 7135943

Structure parameters

• Formula: C5 H3 N7 O5
• Calculated formula: C5 H3 N7 O5
• Title of publication: Fused Pyrazolo[3,4-d]pyridazine N-Oxides with Balanced Detonation Performance and Safety
• Authors of publication: Li, Congcong; Yin, Hongquan; Ma, Qing; Chen, Fu-Xue
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 13.998 ± 0.0017 Å
• b: 6.718 ± 0.0009 Å
• c: 17.197 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1617.2 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No