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Information card for entry 2204299
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| Coordinates | 2204299.cif |
|---|---|
| Structure factors | 2204299.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-Fluorouracil Dimethylsulfoxide (1/1) |
|---|---|
| Formula | C6 H9 F N2 O3 S |
| Calculated formula | C6 H9 F N2 O3 S |
| Title of publication | 5-Fluorouracil–dimethyl sulfoxide (1/1) |
| Authors of publication | Hulme, Ashley T.; Tocher, Derek A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 10 |
| Pages of publication | o1786 - o1787 |
| a | 9.8831 ± 0.001 Å |
| b | 10.8128 ± 0.0011 Å |
| c | 8.6842 ± 0.0009 Å |
| α | 90° |
| β | 107.397 ± 0.002° |
| γ | 90° |
| Cell volume | 885.58 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.041 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0869 |
| Weighted residual factors for all reflections included in the refinement | 0.0899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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