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Information card for entry 2004923
Preview
| Coordinates | 2004923.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C13 H11 N O3 S |
|---|---|
| Calculated formula | C13 H11 N O3 S |
| Title of publication | 4-Methoxyphenyl 2-Nitrophenyl Sulfide |
| Authors of publication | Howie, R. A.; Wardell, J. L. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 5 |
| Pages of publication | 1228 - 1230 |
| a | 9.16 ± 0.006 Å |
| b | 7.819 ± 0.005 Å |
| c | 9.57 ± 0.004 Å |
| α | 80.49 ± 0.05° |
| β | 113.72 ± 0.04° |
| γ | 98.97 ± 0.05° |
| Cell volume | 615.9 ± 0.7 Å3 |
| Cell temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.037 |
| Goodness-of-fit parameter for significantly intense reflections | 1.24 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.