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Information card for entry 1557339
Preview
| Coordinates | 1557339.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4-Methoxyphenyl Phenyl Selenoxide |
|---|---|
| Formula | C13 H14 O3 Se |
| Calculated formula | C13 O3 Se |
| SMILES | [Se](=O)(c1ccccc1)c1ccc(OC)cc1.O |
| Title of publication | Structural Characterisation of Chiral 4-Methoxyphenyl Phenyl Selenoxide |
| Authors of publication | Stuhr-Hansen, Nicolai; Sorensen, Henning Osholm; Henriksen, Lars; Larsen, Sine |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1997 |
| Journal volume | 51 |
| Pages of publication | 1186 - 1191 |
| a | 5.3562 ± 0.0006 Å |
| b | 13.293 ± 0.002 Å |
| c | 16.927 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1205.2 ± 0.3 Å3 |
| Ambient diffraction temperature | 122 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0205 |
| Weighted residual factors for significantly intense reflections | 0.0478 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.346 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248290 (current) | 2020-02-19 | cif/ Adding structures of 1557339 via cif-deposit CGI script. |
1557339.cif |
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