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Information card for entry 2003645
Preview
| Coordinates | 2003645.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C6 H4 Br N O3 |
|---|---|
| Calculated formula | C6 H4 Br N O3 |
| Title of publication | 5-Bromo-2-(2-nitroethenyl)furan |
| Authors of publication | Pomés, R.; Duque, J.; Novoa, H.; Castañedo, N.; Toscano, A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 7 |
| Pages of publication | 1368 - 1369 |
| a | 7.37 ± 0.001 Å |
| b | 10.919 ± 0.002 Å |
| c | 9.887 ± 0.001 Å |
| α | 90° |
| β | 108.45 ± 0.01° |
| γ | 90° |
| Cell volume | 754.74 ± 0.19 Å3 |
| Cell temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.06 |
| Goodness-of-fit parameter for significantly intense reflections | 1.61 |
| Diffraction radiation wavelength | 0.71069 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.