Information card for entry 7708146

Structure parameters

• Formula: C4 H12 N10 O8
• Calculated formula: C4 H12 N10 O8
• Title of publication: Energetic isomers of bridged oxadiazole nitramines: the effect of asymmetric heterocyclics on stability and energetic properties
• Authors of publication: Liao, Sicheng; Liu, Tianlin; Zhou, Zhiyu; Wang, Kangcai; Song, Siwei; Zhang, Qinghua
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 6.7783 ± 0.0004 Å
• b: 6.9837 ± 0.0004 Å
• c: 13.3471 ± 0.0008 Å
• α: 90°
• β: 95.397 ± 0.002°
• γ: 90°
• Cell volume: 629.02 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0602
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No