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Information card for entry 4134205
Preview
| Coordinates | 4134205.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ARM518 |
|---|---|
| Formula | C26 H21.56 B F3 K O1.28 |
| Calculated formula | C26 H21 B F3 K O1.282 |
| Title of publication | Electrochemical Synthesis of Biaryls via Oxidative Intramolecular Coupling of Tetra(hetero)arylborates. |
| Authors of publication | Music, Arif; Baumann, Andreas Nicolas; Spie Szlig, Philipp; Plantefol, Allan; Jagau, Thomas-C; Didier, Dorian |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 9.8924 ± 0.0004 Å |
| b | 10.0377 ± 0.0004 Å |
| c | 11.5787 ± 0.0004 Å |
| α | 82.567 ± 0.001° |
| β | 81.296 ± 0.001° |
| γ | 88.212 ± 0.001° |
| Cell volume | 1126.86 ± 0.07 Å3 |
| Cell temperature | 102 ± 2 K |
| Ambient diffraction temperature | 102 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0661 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1425 |
| Weighted residual factors for all reflections included in the refinement | 0.1499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248326 (current) | 2020-02-21 | cif/ Adding structures of 4134205 via cif-deposit CGI script. |
4134205.cif |
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Users of the data should acknowledge the original authors of the
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