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Information card for entry 8105488
Preview
| Coordinates | 8105488.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H15 N3 S |
|---|---|
| Calculated formula | C12 H15 N3 S |
| Title of publication | Crystal structure of 3-ethyl-1-[(E)-[(2E)-3-phenylprop-2-en-1-ylidene]amino]thiourea, C12H15N3S |
| Authors of publication | Tan, Ming Yueh; Ho, Sheng Zhou; Tan, Kong Wai; Tiekink, Edward R.T. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 6 |
| Pages of publication | 1439 - 1441 |
| a | 11.9612 ± 0.0005 Å |
| b | 8.1215 ± 0.0003 Å |
| c | 27.5865 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2679.83 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.063 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1395 |
| Weighted residual factors for all reflections included in the refinement | 0.1514 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276219 (current) | 2022-06-24 | cif/ Adding structures of 8105488 via cif-deposit CGI script. |
8105488.cif |
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Users of the data should acknowledge the original authors of the
structural data.