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Information card for entry 1575488
Preview
| Coordinates | 1575488.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H13 F3 N2 O S |
|---|---|
| Calculated formula | C16 H13 F3 N2 O S |
| a | 7.6256 ± 0.0009 Å |
| b | 9.9455 ± 0.0012 Å |
| c | 11.2468 ± 0.0012 Å |
| α | 105.643 ± 0.007° |
| β | 97.748 ± 0.007° |
| γ | 104.859 ± 0.007° |
| Cell volume | 774.61 ± 0.16 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 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 | 0.0601 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1605 |
| Weighted residual factors for all reflections included in the refinement | 0.1645 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301784 (current) | 2025-08-19 | cif/ Adding structures of 1575487, 1575488 via cif-deposit CGI script. |
1575488.cif |
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Users of the data should acknowledge the original authors of the
structural data.