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Information card for entry 8105859
Preview
| Coordinates | 8105859.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H15 N O S |
|---|---|
| Calculated formula | C11 H15 N O S |
| Title of publication | Crystal structure of N-(3-methylphenyl)(propan-2-yloxy)carbothioamide, C11H15NOS |
| Authors of publication | Yeo, Chien Ing; Tiekink, Edward R. T. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 4 |
| Pages of publication | 813 - 815 |
| a | 21.0452 ± 0.0012 Å |
| b | 6.1447 ± 0.0004 Å |
| c | 17.1892 ± 0.001 Å |
| α | 90° |
| β | 93.352 ± 0.001° |
| γ | 90° |
| Cell volume | 2219 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0338 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0815 |
| Weighted residual factors for all reflections included in the refinement | 0.0854 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278163 (current) | 2022-09-26 | cif/ Adding structures of 8105859 via cif-deposit CGI script. |
8105859.cif |
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Users of the data should acknowledge the original authors of the
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