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Information card for entry 7117752
Preview
| Coordinates | 7117752.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | selenophenol |
|---|---|
| Chemical name | benzene selenol |
| Formula | C6 H6 Se |
| Calculated formula | C6 H6 Se |
| SMILES | c1(ccccc1)[SeH] |
| Title of publication | Organic alloys of room temperature liquids thiophenol and selenophenol |
| Authors of publication | Sajesh P. Thomas; R. Sathishkumar; T. N. Guru Row |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 14255 |
| a | 7.329 ± 0.004 Å |
| b | 11.226 ± 0.005 Å |
| c | 14.422 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1186.6 ± 1 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P n a b |
| Hall space group symbol | -P 2bc 2n |
| Residual factor for all reflections | 0.1003 |
| Residual factor for significantly intense reflections | 0.0867 |
| Weighted residual factors for significantly intense reflections | 0.2037 |
| Weighted residual factors for all reflections included in the refinement | 0.2073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.345 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 153936 (current) | 2015-09-04 | cif/ Adding structures of 7117749, 7117750, 7117751, 7117752, 7117753, 7117754 via cif-deposit CGI script. |
7117752.cif |
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Users of the data should acknowledge the original authors of the
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