Information card for entry 8107701
| Formula |
C12 H8 Br2 O2 |
| Calculated formula |
C12 H8 Br2 O2 |
| Title of publication |
Crystal structure of 1,4-dibromo-2,5-bis(prop-2-yn-1-yloxy)benzene, C12H8Br2O2 |
| Authors of publication |
Wang, Zhi-Yong; Zhang, Qi-Long; Zhang, Xiu-Ming; Zhou, Xu; Yang, Xian-Jiong; Xu, Hong |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2023 |
| Journal volume |
238 |
| Journal issue |
6 |
| Pages of publication |
1199 - 1200 |
| a |
4.1957 ± 0.0013 Å |
| b |
13.402 ± 0.004 Å |
| c |
11.16 ± 0.003 Å |
| α |
90° |
| β |
99.645 ± 0.01° |
| γ |
90° |
| Cell volume |
618.7 ± 0.3 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/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.0496 |
| Residual factor for significantly intense reflections |
0.0287 |
| Weighted residual factors for significantly intense reflections |
0.0638 |
| Weighted residual factors for all reflections included in the refinement |
0.0701 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.031 |
| 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/8107701.html
