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Information card for entry 2238935
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| Coordinates | 2238935.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 2,4,6-trinitrophenyl 4-bromobenzoate |
|---|---|
| Chemical name | 2,4,6-Trinitrophenyl 4-bromobenzoate |
| Formula | C13 H6 Br N3 O8 |
| Calculated formula | C13 H6 Br N3 O8 |
| Title of publication | 2,4,6-Trinitrophenyl 4-bromobenzoate |
| Authors of publication | Moreno-Fuquen, Rodolfo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 12 |
| Pages of publication | o1787 |
| a | 10.8409 ± 0.0005 Å |
| b | 10.0152 ± 0.0007 Å |
| c | 13.9777 ± 0.0007 Å |
| α | 90° |
| β | 99.246 ± 0.003° |
| γ | 90° |
| Cell volume | 1497.89 ± 0.15 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0829 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1128 |
| Weighted residual factors for all reflections included in the refinement | 0.1339 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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