Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107701
Preview
| Coordinates | 8107701.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287962 (current) | 2023-12-04 | cif/ Adding structures of 8107701 via cif-deposit CGI script. |
8107701.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.