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Information card for entry 2006475
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| Coordinates | 2006475.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 2-bromosenecioic acid |
|---|---|
| Chemical name | 2-bromo-3-methyl-2-butenoic acid |
| Formula | C5 H7 Br O2 |
| Calculated formula | C5 H7 Br O2 |
| Title of publication | 2-Bromo-3-methyl-2-butenoic Acid (2-Bromosenecioic Acid) |
| Authors of publication | Gerkin, Roger E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 9 |
| Pages of publication | 1278 - 1280 |
| a | 7.4058 ± 0.0009 Å |
| b | 8.7129 ± 0.001 Å |
| c | 6.0114 ± 0.0006 Å |
| α | 94.915 ± 0.01° |
| β | 102.386 ± 0.01° |
| γ | 114.847 ± 0.008° |
| Cell volume | 336.96 ± 0.07 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for all reflections included in the refinement | 0.029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.81 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.