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Information card for entry 4134626
Preview
| Coordinates | 4134626.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H26 B10 O2 |
|---|---|
| Calculated formula | C17 H26 B10 O2 |
| Title of publication | Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature. |
| Authors of publication | Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 9.9559 ± 0.0005 Å |
| b | 12.4988 ± 0.0006 Å |
| c | 17.2264 ± 0.0008 Å |
| α | 90° |
| β | 104.392 ± 0.001° |
| γ | 90° |
| Cell volume | 2076.33 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0569 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1295 |
| Weighted residual factors for all reflections included in the refinement | 0.1378 |
| 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 |
|---|---|---|---|
| 250450 (current) | 2020-04-08 | cif/ Adding structures of 4134626 via cif-deposit CGI script. |
4134626.cif |
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