Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107225
Preview
| Coordinates | 8107225.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H16 Br2 |
|---|---|
| Calculated formula | C12 H16 Br2 |
| Title of publication | Crystal structre of 1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene, C12H16Br2 |
| Authors of publication | Song, Wenqi; Zhao, Mingxu; Zhu, Yanfang; Gao, Jianjing; Zhao, Yuzhen |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 5 |
| Pages of publication | 819 - 820 |
| a | 7.9423 ± 0.0005 Å |
| b | 4.4163 ± 0.0003 Å |
| c | 16.8127 ± 0.001 Å |
| α | 90° |
| β | 94.534 ± 0.004° |
| γ | 90° |
| Cell volume | 587.87 ± 0.06 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 3 |
| 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 | 0.0484 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0957 |
| Weighted residual factors for all reflections included in the refinement | 0.1016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283918 (current) | 2023-05-22 | cif/ Adding structures of 8107225 via cif-deposit CGI script. |
8107225.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.