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Information card for entry 2200812
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| Coordinates | 2200812.cif |
|---|---|
| Structure factors | 2200812.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,4-Dibromophenyl 2,6-dibromophenyl ether |
|---|---|
| Formula | C12 H6 Br4 O |
| Calculated formula | C12 H6 Br4 O |
| SMILES | Brc1ccc(Oc2c(Br)cccc2Br)c(Br)c1 |
| Title of publication | 2,4-Dibromophenyl 2,6-dibromophenyl ether |
| Authors of publication | Eriksson, Johan; Eriksson, Lars; Hu, Jiwei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 3 |
| Pages of publication | o347 - o349 |
| a | 8.0274 ± 0.0012 Å |
| b | 8.389 ± 0.002 Å |
| c | 20.562 ± 0.003 Å |
| α | 90° |
| β | 90.606 ± 0.019° |
| γ | 90° |
| Cell volume | 1384.6 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.0539 |
| Weighted residual factors for all reflections included in the refinement | 0.0563 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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