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Information card for entry 8107699
Preview
| Coordinates | 8107699.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H16 Br2 O4 |
|---|---|
| Calculated formula | C12 H16 Br2 O4 |
| Title of publication | Crystal structure of 1,4-dibromo-2,5-bis(2-methoxyethoxy)benzene-1,4-diol, C12H16Br2O4 |
| Authors of publication | Wang, Zhi-Yong; Lu, Wan-Li; Zhou, Xu; Yang, Xian-Jiong; Zhang, Qi-Long; Xu, Hong |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 6 |
| Pages of publication | 1193 - 1194 |
| a | 12.594 ± 0.005 Å |
| b | 4.4613 ± 0.0016 Å |
| c | 12.878 ± 0.004 Å |
| α | 90° |
| β | 91.209 ± 0.012° |
| γ | 90° |
| Cell volume | 723.4 ± 0.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 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 | 0.0735 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.1 |
| Weighted residual factors for all reflections included in the refinement | 0.1103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287960 (current) | 2023-12-04 | cif/ Adding structures of 8107699 via cif-deposit CGI script. |
8107699.cif |
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Users of the data should acknowledge the original authors of the
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