Information card for entry 7712309

Structure parameters

• Formula: C11 H15 N9 O9
• Calculated formula: C11 H15 N9 O9
• Title of publication: The design and synthesis of new advanced energetic materials based on pyrazole-triazole backbones.
• Authors of publication: Tang, Jie; Xiong, Hualin; Tang, Yongxing; Yang, Hongwei; Cheng, Guangbin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 8.7665 ± 0.0019 Å
• b: 10.158 ± 0.002 Å
• c: 10.814 ± 0.002 Å
• α: 114.184 ± 0.003°
• β: 98.141 ± 0.003°
• γ: 99.022 ± 0.003°
• Cell volume: 844.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0741
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No