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Information card for entry 4134627
Preview
| Coordinates | 4134627.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H29 B10 N2 O2 |
|---|---|
| Calculated formula | C22 H29 B10 N2 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 | 19.9522 ± 0.001 Å |
| b | 13.7412 ± 0.0006 Å |
| c | 18.6004 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5099.6 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.1233 |
| Residual factor for significantly intense reflections | 0.0967 |
| Weighted residual factors for significantly intense reflections | 0.2609 |
| Weighted residual factors for all reflections included in the refinement | 0.2882 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250451 (current) | 2020-04-08 | cif/ Adding structures of 4134627 via cif-deposit CGI script. |
4134627.cif |
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