Information card for entry 7051804

Structure parameters

• Common name: DNU
• Formula: C H2 N4 O5
• Calculated formula: C H2 N4 O5
• SMILES: C(=O)(NN(=O)=O)NN(=O)=O
• Title of publication: Dense energetic salts of N,N′-dinitrourea (DNU)
• Authors of publication: Ye, Chengfeng; Gao, Haixiang; Twamley, Brendan; Shreeve, Jean’ne M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 317
• a: 12.0015 ± 0.0009 Å
• b: 17.6425 ± 0.0013 Å
• c: 4.5555 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 964.57 ± 0.13 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No