Information card for entry 7219863

Structure parameters

• Formula: C6 H3 Cl N10 O9
• Calculated formula: C6 H3 Cl N10 O9
• SMILES: c1(c(non1)NCC(N(=O)=O)(N(=O)=O)N(=O)=O)N(=Nc1c(Cl)non1)=O
• 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: 11.3577 ± 0.0006 Å
• b: 9.9015 ± 0.0006 Å
• c: 24.706 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2778.4 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No