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Information card for entry 2200200
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| Coordinates | 2200200.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2,3,4'-Trichlorobiphenyl |
|---|---|
| Formula | C12 H7 Cl3 |
| Calculated formula | C12 H7 Cl3 |
| SMILES | c1(ccc(cc1)Cl)c1c(c(ccc1)Cl)Cl |
| Title of publication | 2,3,4'-Trichlorobiphenyl |
| Authors of publication | Lehmler, Hans-Joachim; Parkin, Sean; Robertson, Larry W. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 2 |
| Pages of publication | o111 - o112 |
| a | 3.901 ± 0.001 Å |
| b | 17.398 ± 0.002 Å |
| c | 15.749 ± 0.002 Å |
| α | 90° |
| β | 94.51 ± 0.01° |
| γ | 90° |
| Cell volume | 1065.6 ± 0.3 Å3 |
| Cell temperature | 173 ± 1 K |
| Ambient diffraction temperature | 173 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0287 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for all reflections included in the refinement | 0.0539 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 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.