Information card for entry 7125622

Structure parameters

• Formula: C3 H6 N6 O5
• Calculated formula: C3 H6 N6 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: 10.165 ± 0.0012 Å
• b: 7.8116 ± 0.0009 Å
• c: 9.9589 ± 0.0012 Å
• α: 90°
• β: 102.907 ± 0.002°
• γ: 90°
• Cell volume: 770.81 ± 0.16 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No