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Information card for entry 2003329
Preview
| Coordinates | 2003329.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C9 H12 N2 O4 |
|---|---|
| Calculated formula | C9 H12 N2 O4 |
| Title of publication | 3,7-Dinitronoradamantane, C~9~H~12~N~2~O~4~, and 3,7,9-Trinitronoradamantane, C~9~H~11~N~3~O~6~ |
| Authors of publication | George, C.; Gilardi, R. D.; Zajac, Jnr, W. W.; Buzby, J. H.; Walters, T. R. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 4 |
| Pages of publication | 703 - 706 |
| a | 6.718 ± 0.002 Å |
| b | 12.27 ± 0.004 Å |
| c | 13.273 ± 0.004 Å |
| α | 64.19 ± 0.02° |
| β | 81.76 ± 0.02° |
| γ | 89.25 ± 0.02° |
| Cell volume | 973.3 ± 0.6 Å3 |
| Cell temperature | 295 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.048 |
| Goodness-of-fit parameter for significantly intense reflections | 1.68 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.