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Information card for entry 4130811
Preview
| Coordinates | 4130811.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H25 B10 N O2 |
|---|---|
| Calculated formula | C10 H24 B10 N O2 |
| Title of publication | Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines. |
| Authors of publication | Lyu, Hairong; Quan, Yangjian; Xie, Zuowei |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 39 |
| Pages of publication | 12727 - 12730 |
| a | 8.0349 ± 0.0017 Å |
| b | 18.023 ± 0.004 Å |
| c | 12.072 ± 0.003 Å |
| α | 90° |
| β | 96.799 ± 0.008° |
| γ | 90° |
| Cell volume | 1735.9 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1492 |
| Residual factor for significantly intense reflections | 0.0935 |
| Weighted residual factors for significantly intense reflections | 0.2646 |
| Weighted residual factors for all reflections included in the refinement | 0.3276 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241173 (current) | 2019-11-25 | cif/ Adding structures of 4130809, 4130810, 4130811, 4130812, 4130813 via cif-deposit CGI script. |
4130811.cif |
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Users of the data should acknowledge the original authors of the
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