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Information card for entry 2206637
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| Coordinates | 2206637.cif |
|---|---|
| Structure factors | 2206637.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,2''-bis(bromomethyl)-p-terphenyl |
|---|---|
| Formula | C20 H16 Br2 |
| Calculated formula | C20 H16 Br2 |
| SMILES | BrCc1ccccc1c1ccc(cc1)c1ccccc1CBr |
| Title of publication | 2,2''-Bis(bromomethyl)-<i>p</i>-terphenyl |
| Authors of publication | Jones, Peter G.; Kuś, Piotr |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 9 |
| Pages of publication | o2947 - o2948 |
| a | 4.4286 ± 0.0004 Å |
| b | 7.4756 ± 0.0006 Å |
| c | 12.4664 ± 0.0012 Å |
| α | 96.032 ± 0.004° |
| β | 98.347 ± 0.004° |
| γ | 96.155 ± 0.004° |
| Cell volume | 402.93 ± 0.06 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0317 |
| Residual factor for significantly intense reflections | 0.0246 |
| Weighted residual factors for significantly intense reflections | 0.0554 |
| Weighted residual factors for all reflections included in the refinement | 0.0573 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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