Information card for entry 7125623

Structure parameters

• Formula: C3 H3 N5 O5
• Calculated formula: C3 H3 N5 O5
• Title of publication: Combination of gem-dinitromethyl functionality and a 5-amino-1,3,4-oxadiazole framework for zwitterionic energetic materials.
• Authors of publication: Liu, Tianlin; Liao, Sicheng; Song, Siwei; Wang, Kangcai; Jin, Yunhe; Zhang, Qinghua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 209 - 212
• a: 8.2688 ± 0.001 Å
• b: 6.1121 ± 0.0007 Å
• c: 13.2779 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 671.06 ± 0.14 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No