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Information card for entry 2021867
Preview
| Coordinates | 2021867.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H14 Cl N S |
|---|---|
| Calculated formula | C18 H14 Cl N S |
| Title of publication | (E)-3-(4-Chlorophenyl)-3-cyclopropyl-2-(phenylthio)acrylonitrile |
| Authors of publication | Roche, D.; Métin, J.; Madesclaire, M. |
| Journal of publication | Acta Crystallographica Section C Crystal Structure Communications |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 12 |
| Pages of publication | 3104 |
| a | 5.739 ± 0.001 Å |
| b | 7.621 ± 0.002 Å |
| c | 36.561 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1599.1 ± 0.5 Å3 |
| Cell temperature | 293 K |
| Number of distinct elements | 5 |
| 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 | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.049 |
| Goodness-of-fit parameter for significantly intense reflections | 1.34 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246028 (current) | 2019-12-26 | cif/ Adding structures of 2021867 via cif-deposit CGI script. |
2021867.cif |
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Users of the data should acknowledge the original authors of the
structural data.