Information card for entry 7249966

Structure parameters

• Formula: C4 H6 N6 O6
• Calculated formula: C4 H6 N6 O6
• Title of publication: Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials
• Authors of publication: Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 1918 - 1926
• a: 3.4526 ± 0.0001 Å
• b: 14.093 ± 0.0006 Å
• c: 9.0501 ± 0.0004 Å
• α: 90°
• β: 94.007 ± 0.003°
• γ: 90°
• Cell volume: 439.28 ± 0.03 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No