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Information card for entry 7129208
Preview
| Coordinates | 7129208.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H14 Br2 O2 |
|---|---|
| Calculated formula | C16 H14 Br2 O2 |
| SMILES | BrC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)Br |
| Title of publication | Dibrominated Addition and Substitution of Alkenes Catalyzed by Mn2(CO)10 |
| Authors of publication | Song, Xianheng; Meng, Shanshui; Zhang, Hong; Jiang, Yi; Chan, Albert S. C.; Zou, Yong |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 7.963 ± 0.0001 Å |
| b | 6.0352 ± 0.0001 Å |
| c | 16.021 ± 0.0002 Å |
| α | 90° |
| β | 93.637 ± 0.001° |
| γ | 90° |
| Cell volume | 768.391 ± 0.019 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0286 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0673 |
| Weighted residual factors for all reflections included in the refinement | 0.0676 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270527 (current) | 2021-11-09 | cif/ Adding structures of 7129208, 7129209 via cif-deposit CGI script. |
7129208.cif |
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