Information card for entry 7235804

Structure parameters

• Chemical name: 2,6-dinitro-4-nitro-NNO-azoxytoluene
• Formula: C7 H5 N5 O7
• Calculated formula: C7 H5 N5 O7
• Title of publication: A comparative study of the structure, energetic performance and stability of nitro-NNO-azoxy substituted explosives
• Authors of publication: Wang, Yuan; Li, Shenghua; Li, Yuchuan; Zhang, Rubo; Wang, Dong; Pang, Siping
• Journal of publication: J. Mater. Chem. A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 48
• Pages of publication: 20806
• a: 5.2932 ± 0.0015 Å
• b: 29.236 ± 0.008 Å
• c: 6.907 ± 0.002 Å
• α: 90°
• β: 98.746 ± 0.004°
• γ: 90°
• Cell volume: 1056.4 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No