Information card for entry 7219864

Structure parameters

• Formula: C8 H4 N16 O19
• Calculated formula: C8 H4 N16 O19
• Title of publication: N-Trinitroethyl-substituted azoxyfurazan: high detonation performance energetic materials
• Authors of publication: Yu, Qiong; Wang, Zhixin; Yang, Hongwei; Wu, Bo; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.6635 ± 0.0006 Å
• b: 9.5134 ± 0.0007 Å
• c: 15.1332 ± 0.0012 Å
• α: 90°
• β: 99.571 ± 0.003°
• γ: 90°
• Cell volume: 1087.94 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0735
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No