Information card for entry 7702920

Structure parameters

• Formula: C8 H12 N16 O12
• Calculated formula: C8 H12 N16 O12
• Title of publication: Combinations of furoxan and 1,2,4-oxadiazole for the generation of high performance energetic materials.
• Authors of publication: Xiong, Hualin; Yang, Hongwei; Lei, Caijin; Yang, Pengjiu; Hu, Wei; Cheng, Guangbin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 39
• Pages of publication: 14705 - 14711
• a: 29.577 ± 0.003 Å
• b: 5.0295 ± 0.0004 Å
• c: 14.2565 ± 0.0012 Å
• α: 90°
• β: 92.983 ± 0.003°
• γ: 90°
• Cell volume: 2117.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1134
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.2079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No