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Information card for entry 2214508
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| Coordinates | 2214508.cif |
|---|---|
| Structure factors | 2214508.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-Chloro-4-chloromethyl-2-phenyl-1,3-selenazole |
|---|---|
| Formula | C10 H7 Cl2 N Se |
| Calculated formula | C10 H7 Cl2 N Se |
| SMILES | [se]1c(Cl)c(nc1c1ccccc1)CCl |
| Title of publication | 5-Chloro-4-chloromethyl-2-phenyl-1,3-selenazole |
| Authors of publication | Shi, Xia; Zhao, Guo-Liang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 8 |
| Pages of publication | o3642 - o3642 |
| a | 8.164 ± 0.0005 Å |
| b | 10.405 ± 0.0006 Å |
| c | 13.7225 ± 0.0007 Å |
| α | 76.264 ± 0.003° |
| β | 74.357 ± 0.003° |
| γ | 86.475 ± 0.003° |
| Cell volume | 1090.39 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0872 |
| Weighted residual factors for all reflections included in the refinement | 0.0976 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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