Information card for entry 7058725

Structure parameters

• Formula: C7 H12 N10 O11
• Calculated formula: C7 H12 N10 O11
• Title of publication: 1,2,4-Oxadiazole-derived polynitro energetic compounds with sensitivity reduced by a methylene bridge
• Authors of publication: Lu, Tian; Wang, Chenbin; Wang, Guilong; Wang, Shaoqing; Song, Jia; Yin, Hongquan; Fan, Guijuan; Chen, Fu-Xue
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 13330
• a: 14.2662 ± 0.0006 Å
• b: 7.0922 ± 0.0003 Å
• c: 15.6154 ± 0.0006 Å
• α: 90°
• β: 90.952 ± 0.001°
• γ: 90°
• Cell volume: 1579.73 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0542
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No