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Information card for entry 1556479
Preview
| Coordinates | 1556479.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H27 Br P2 |
|---|---|
| Calculated formula | C32 H27 Br P2 |
| SMILES | Brc1c(cccc1CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1 |
| Title of publication | Reduction of Bromo- and Iodo-2,6-bis(diphenylphosphanylmethyl)benzene with Magnesium and Calcium |
| Authors of publication | Koch, A.; Krieck, S.; Gorls, H.; Westerhausen, M. |
| Journal of publication | Inorganics |
| Year of publication | 2016 |
| Journal volume | 4 |
| Pages of publication | 39 |
| a | 9.3025 ± 0.0003 Å |
| b | 10.1879 ± 0.0004 Å |
| c | 15.2499 ± 0.0006 Å |
| α | 104.318 ± 0.002° |
| β | 106.891 ± 0.002° |
| γ | 95.661 ± 0.002° |
| Cell volume | 1317.12 ± 0.09 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 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 all reflections | 0.0494 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0806 |
| Weighted residual factors for all reflections included in the refinement | 0.0863 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244962 (current) | 2019-12-09 | cif/ Adding structures of 1556479, 1556480, 1556481, 1556482 via cif-deposit CGI script. |
1556479.cif |
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Users of the data should acknowledge the original authors of the
structural data.