Information card for entry 4124381

Structure parameters

• Formula: C4 H10 N12 O2
• Calculated formula: C4 H10 N12 O2
• SMILES: [O-]n1nnnc1c1nonc1N.NNC(=[NH2+])NN
• Title of publication: Enforced Layer-by-Layer Stacking of Energetic Salts towards High-Performance Insensitive Energetic Materials.
• Authors of publication: Zhang, Jiaheng; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Pages of publication: 150814061208001
• a: 4.7182 ± 0.0002 Å
• b: 17.4672 ± 0.0006 Å
• c: 12.9425 ± 0.0005 Å
• α: 90°
• β: 91.261 ± 0.001°
• γ: 90°
• Cell volume: 1066.38 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No