Information card for entry 7105119

Structure parameters

• Common name: 2,2-bis(nitroaminomethyl)propane-1,3-dinitroamine
• Chemical name: 2,2-bis(nitroaminomethyl)propane-1,3-dinitroamine
• Formula: C5 H12 N8 O8
• Calculated formula: C5 H12 N8 O8
• SMILES: C(CNN(=O)=O)(CNN(=O)=O)(CNN(=O)=O)CNN(=O)=O
• Title of publication: Polynitramino compounds outperform PETN.
• Authors of publication: Joo, Young-Hyuk; Shreeve, Jean'ne M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 46
• Journal issue: 1
• Pages of publication: 142 - 144
• a: 9.6543 ± 0.0011 Å
• b: 9.6543 ± 0.0011 Å
• c: 6.3283 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 589.83 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No