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Information card for entry 1550689
Preview
| Coordinates | 1550689.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H62 B11 N |
|---|---|
| Calculated formula | C49 H62 B11 N |
| Title of publication | Highly selective palladium-catalyzed one-pot, five-fold B‒H/C‒H cross coupling of monocarboranes with alkenes |
| Authors of publication | Shen, Yunjun; Zhang, Kang; Liang, Xuewei; Dontha, Rakesh; Duttwyler, Simon |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 23.5746 ± 0.0011 Å |
| b | 18.8529 ± 0.0006 Å |
| c | 22.1333 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9837.1 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 72 |
| Hermann-Mauguin space group symbol | I b a m |
| Hall space group symbol | -I 2 2c |
| Residual factor for all reflections | 0.1178 |
| Residual factor for significantly intense reflections | 0.0839 |
| Weighted residual factors for significantly intense reflections | 0.2304 |
| Weighted residual factors for all reflections included in the refinement | 0.2591 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213941 (current) | 2019-03-05 | cif/ Adding structures of 1550689, 1550690, 1550691 via cif-deposit CGI script. |
1550689.cif |
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Users of the data should acknowledge the original authors of the
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