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Information card for entry 7129209
Preview
| Coordinates | 7129209.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H13 Br3 O2 |
|---|---|
| Calculated formula | C16 H13 Br3 O2 |
| 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 | 5.5472 ± 0.0002 Å |
| b | 7.8195 ± 0.0004 Å |
| c | 18.3327 ± 0.0007 Å |
| α | 90° |
| β | 94.308 ± 0.004° |
| γ | 90° |
| Cell volume | 792.96 ± 0.06 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 | 0.0934 |
| Residual factor for significantly intense reflections | 0.0697 |
| Weighted residual factors for significantly intense reflections | 0.1568 |
| Weighted residual factors for all reflections included in the refinement | 0.1783 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| 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. |
7129209.cif |
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Users of the data should acknowledge the original authors of the
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