Information card for entry 7047924

Structure parameters

• Formula: C5 H8 N12 O5
• Calculated formula: C5 H8 N12 O5
• Title of publication: Asymmetric nitrogen-rich energetic materials resulting from the combination of tetrazolyl, dinitromethyl and (1,2,4-oxadiazol-5-yl)nitroamino groups with furoxan.
• Authors of publication: Liu, Yingle; He, Chunlin; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 46
• Pages of publication: 16558 - 16566
• a: 7.122 ± 0.0007 Å
• b: 7.5186 ± 0.0009 Å
• c: 12.6185 ± 0.0017 Å
• α: 76.121 ± 0.006°
• β: 74.829 ± 0.006°
• γ: 67.346 ± 0.005°
• Cell volume: 594.44 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0917
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No