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Information card for entry 1559665
Preview
| Coordinates | 1559665.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H30 B11 P |
|---|---|
| Calculated formula | C26 H30 B11 P |
| SMILES | [P]1([C]2345[C]678([BH]9%102[BH]2%113[BH]3%124[BH]456[BH]56%12[BH]%12%113[BH]3%102[BH]279[BH]845[BH]6%1232)[B]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. |
| Authors of publication | Zhang, Jian; Xie, Zuowei |
| Journal of publication | Chemical science |
| Year of publication | 2020 |
| Journal volume | 12 |
| Journal issue | 5 |
| Pages of publication | 1745 - 1749 |
| a | 14.029 ± 0.002 Å |
| b | 9.9593 ± 0.0019 Å |
| c | 20.562 ± 0.003 Å |
| α | 90° |
| β | 92.648 ± 0.004° |
| γ | 90° |
| Cell volume | 2869.8 ± 0.8 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 | 0.1142 |
| Residual factor for significantly intense reflections | 0.0636 |
| Weighted residual factors for significantly intense reflections | 0.1547 |
| Weighted residual factors for all reflections included in the refinement | 0.1891 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267058 (current) | 2021-07-05 | cif/ Updating files of 1559665, 1559666, 1559667, 1559668, 1559669, 1559670, 1559671, 1559672 Original log message: Adding full bibliography for 1559665--1559672.cif. |
1559665.cif |
| 262526 | 2021-03-05 | cif/ Updating files of 1559665, 1559666, 1559667, 1559668, 1559669, 1559670, 1559671, 1559672 Original log message: Adding full bibliography for 1559665--1559672.cif. |
1559665.cif |
| 259383 | 2020-12-01 | cif/ Adding structures of 1559665, 1559666, 1559667, 1559668, 1559669, 1559670, 1559671, 1559672 via cif-deposit CGI script. |
1559665.cif |
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Users of the data should acknowledge the original authors of the
structural data.