Information card for entry 7055913

Structure parameters

• Formula: C6 H10 N10 O4
• Calculated formula: C6 H10 N10 O4
• SMILES: c1(c(c2noc(C)n2)non1)N=N([O-])=O.C(=[NH2+])(NN)N
• Title of publication: Compounds based on 3-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)furazan as insensitive energetic materials
• Authors of publication: Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 1202
• a: 8.0321 ± 0.0008 Å
• b: 8.2137 ± 0.0008 Å
• c: 10.1222 ± 0.0009 Å
• α: 73.271 ± 0.003°
• β: 80.987 ± 0.003°
• γ: 65.449 ± 0.003°
• Cell volume: 581.19 ± 0.1 ų
• Cell temperature: 172 ± 2 K
• Ambient diffraction temperature: 172 ± 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: 0.0781
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No