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Information card for entry 2101488
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| Coordinates | 2101488.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1,3,5,7-tetranitro-3,7-diazabicyclo[3.3.0]octane |
|---|---|
| Formula | C6 H8 N6 O8 |
| Calculated formula | C6 H8 N6 O8 |
| Title of publication | Structure of 1,3,5,7-tetranitro-3,7-diazabicyclo-[3.3.0]octane. Structure solution from molecular packing analysis |
| Authors of publication | Ammon, H. L.; Du, Z.; Gilardi, R. D.; Dave, P. R.; Forohar, F.; Axenrod, T. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 2 |
| Pages of publication | 352 - 356 |
| a | 11.559 ± 0.002 Å |
| b | 8.018 ± 0.001 Å |
| c | 11.697 ± 0.002 Å |
| α | 90° |
| β | 98.01 ± 0.01° |
| γ | 90° |
| Cell volume | 1073.5 ± 0.3 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.044 |
| Goodness-of-fit parameter for significantly intense reflections | 2.06 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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