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Information card for entry 2241314
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| Coordinates | 2241314.cif |
|---|---|
| Structure factors | 2241314.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 1,1'-[Selanediylbis(4,1-phenylene)]bis(2-chloroethan-1-one) |
|---|---|
| Formula | C16 H12 Cl2 O2 Se |
| Calculated formula | C16 H12 Cl2 O2 Se |
| SMILES | [Se](c1ccc(cc1)C(=O)CCl)c1ccc(cc1)C(=O)CCl |
| Title of publication | Crystal structure of 1,1'-[selanediylbis(4,1-phenylene)]bis(2-chloroethan-1-one) |
| Authors of publication | Bouraoui, Hazem; Boudjada, Ali; Hamdouni, Noudjoud; Mechehoud, Youcef; Meinnel, Jean |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o935 - o936 |
| a | 7.9664 ± 0.0007 Å |
| b | 9.2804 ± 0.001 Å |
| c | 10.9045 ± 0.0012 Å |
| α | 104.612 ± 0.009° |
| β | 95.886 ± 0.008° |
| γ | 91.102 ± 0.008° |
| Cell volume | 775.14 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 all reflections | 0.1091 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1118 |
| Weighted residual factors for all reflections included in the refinement | 0.1335 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181914 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241314.cif 2241314.hkl |
| 170326 | 2015-11-15 | cif/ hkl/ Adding structures of 2241314 via cif-deposit CGI script. |
2241314.cif 2241314.hkl |
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Users of the data should acknowledge the original authors of the
structural data.