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Information card for entry 7105119
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Coordinates | 7105119.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 2,2-bis(nitroaminomethyl)propane-1,3-dinitroamine |
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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 Å3 |
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 |
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