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Information card for entry 5000375
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| Coordinates | 5000375.cif |
|---|
| Formula | C18 H19 Br O4 |
|---|---|
| Calculated formula | C18 H19 Br O4 |
| Authors of publication | Huffman, John C. |
| a | 6.881 ± 0.005 Å |
| b | 18.239 ± 0.019 Å |
| c | 26.509 ± 0.028 Å |
| α | 90° |
| β | 95.362 ± 0.014° |
| γ | 90° |
| Cell volume | 3312.4 ± 5.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.3458 |
| Residual factor for significantly intense reflections | 0.1512 |
| Weighted residual factors for all reflections | 0.2858 |
| Weighted residual factors for significantly intense reflections | 0.211 |
| Goodness-of-fit parameter for all reflections | 0.988 |
| Goodness-of-fit parameter for significantly intense reflections | 1.38 |
| 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.