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Information card for entry 7714630
Preview
| Coordinates | 7714630.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H51 B2 N |
|---|---|
| Calculated formula | C68 H51 B2 N |
| SMILES | B1(C(=C(C(=C2N1B1[C@@](c3c2cccc3)(C(=C([C@H]1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.c1ccccc1.B1(C(=C(C(=C2N1B1[C@](c3c2cccc3)(C(=C([C@@H]1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.c1ccccc1 |
| Title of publication | Synthesis, reduction and C-H activation chemistry of azaborinines with redox-active organoboryl substituents. |
| Authors of publication | Lamprecht, Anna; Arrowsmith, Merle; Dietz, Maximilian; Fuchs, Sonja; Rempel, Anna; Härterich, Marcel; Braunschweig, Holger |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 3 |
| Pages of publication | 1004 - 1013 |
| a | 13.6357 ± 0.0002 Å |
| b | 15.1081 ± 0.0002 Å |
| c | 25.2435 ± 0.0003 Å |
| α | 90° |
| β | 103.845 ± 0.001° |
| γ | 90° |
| Cell volume | 5049.31 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0523 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.0958 |
| Weighted residual factors for all reflections included in the refinement | 0.1005 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289536 (current) | 2024-02-04 | cif/ Updating files of 7714624, 7714625, 7714626, 7714627, 7714628, 7714629, 7714630, 7714631 Original log message: Adding full bibliography for 7714624--7714631.cif. |
7714630.cif |
| 288107 | 2023-12-07 | cif/ Adding structures of 7714624, 7714625, 7714626, 7714627, 7714628, 7714629, 7714630, 7714631 via cif-deposit CGI script. |
7714630.cif |
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