Information card for entry 8107699
| 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 |
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https://www.crystallography.net/8107699.html
