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Information card for entry 7156814
Preview
| Coordinates | 7156814.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H26 B2 O4 |
|---|---|
| Calculated formula | C30 H26 B2 O4 |
| Title of publication | Aryl-aryl coupling in a polycyclic aromatic hydrocarbon with embedded tetracoordinate boron centre. |
| Authors of publication | Kirschner, Sven; Bao, Song-Song; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 20 |
| Pages of publication | 5060 - 5065 |
| a | 5.7975 ± 0.0006 Å |
| b | 21.031 ± 0.0017 Å |
| c | 10.4761 ± 0.0009 Å |
| α | 90° |
| β | 93.583 ± 0.007° |
| γ | 90° |
| Cell volume | 1274.8 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0621 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.1272 |
| Weighted residual factors for all reflections included in the refinement | 0.1351 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7156814.cif |
| 265215 | 2021-05-14 | cif/7/15/68/ Removed the '_chemical_name_systematic' data item that had clearly incorrect values from entries 7156814, 7156816. |
7156814.cif |
| 225187 | 2019-11-08 | cif/ Updating files of 7156813, 7156814, 7156815, 7156816 Original log message: Adding full bibliography for 7156813--7156816.cif. |
7156814.cif |
| 214843 | 2019-04-30 | cif/ Adding structures of 7156813, 7156814, 7156815, 7156816 via cif-deposit CGI script. |
7156814.cif |
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Users of the data should acknowledge the original authors of the
structural data.