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Information card for entry 8107473
Preview
| Coordinates | 8107473.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H13 F4 N O S |
|---|---|
| Calculated formula | C17 H13 F4 N O S |
| Title of publication | The crystal structure of 2-(2-fluoro-4-methyl-5-((2,2,2-trifluoroethyl)thio)phenyl)isoindolin-1-one, C17H13F4NOS |
| Authors of publication | Zhang, Jing; Zhang, Lixin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 3 |
| Pages of publication | 479 - 481 |
| a | 6.1249 ± 0.0007 Å |
| b | 9.9306 ± 0.001 Å |
| c | 13.1754 ± 0.0013 Å |
| α | 83.116 ± 0.008° |
| β | 80.305 ± 0.009° |
| γ | 73.204 ± 0.009° |
| Cell volume | 754.08 ± 0.14 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 149.99 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0666 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.0968 |
| Weighted residual factors for all reflections included in the refinement | 0.1078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| 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 |
|---|---|---|---|
| 285175 (current) | 2023-07-12 | cif/ Adding structures of 8107473 via cif-deposit CGI script. |
8107473.cif |
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Users of the data should acknowledge the original authors of the
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