Information card for entry 7055972

Structure parameters

• Formula: C10 H8 N14 O10
• Calculated formula: C10 H8 N14 O10
• SMILES: c1n[nH]c[nH+]1.c1(nnc(C(=N([O-])=O)N(=O)=O)o1)c1nnc(C(=N([O-])=O)N(=O)=O)o1.c1n[nH]c[nH+]1
• Title of publication: Energetic compounds featuring bi(1,3,4-oxadiazole): a new family of insensitive energetic materials
• Authors of publication: Tian, Jiawei; Xiong, Hualin; Lin, Qiuhan; Cheng, Guangbin; Yang, Hongwei
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 1918
• a: 7.6518 ± 0.0012 Å
• b: 7.7243 ± 0.001 Å
• c: 9.0083 ± 0.0012 Å
• α: 95.49 ± 0.004°
• β: 106.941 ± 0.004°
• γ: 117.039 ± 0.004°
• Cell volume: 437.09 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0911
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No