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Information card for entry 8107479
Preview
| Coordinates | 8107479.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-bromo-1,3-phenylene bis(4-methylbenzenesulfonate) |
|---|---|
| Formula | C20 H17 Br O6 S2 |
| Calculated formula | C20 H17 Br O6 S2 |
| Title of publication | The crystal structure of 2-bromo-1,3-phenylene bis(4-methylbenzenesulfonate), C20H17BrO6S2 |
| Authors of publication | Chen, Jue-Yuan; Zou, Long-Sheng; Lai, Ni; Yin, Zi-Yi; Yuan, Lin; Li, Zhong-Yan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 3 |
| Pages of publication | 503 - 505 |
| a | 8.173 ± 0.002 Å |
| b | 8.256 ± 0.002 Å |
| c | 16.514 ± 0.005 Å |
| α | 89.947 ± 0.003° |
| β | 83.105 ± 0.003° |
| γ | 72.077 ± 0.003° |
| Cell volume | 1051.8 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 all reflections | 0.0421 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0831 |
| Weighted residual factors for all reflections included in the refinement | 0.0889 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285238 (current) | 2023-07-17 | cif/ Adding structures of 8107479 via cif-deposit CGI script. |
8107479.cif |
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Users of the data should acknowledge the original authors of the
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