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Information card for entry 4518762
Preview
| Coordinates | 4518762.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H46 B Mn O2 P4 |
|---|---|
| Calculated formula | C18 H46 B Mn O2 P4 |
| Title of publication | Manganese-Catalyzed C(sp2)‒H Borylation of Furan and Thiophene Derivatives |
| Authors of publication | Britton, Luke; Skrodzki, Maciej; Nichol, Gary S.; Dominey, Andrew P.; Pawluć, Piotr; Docherty, Jamie H.; Thomas, Stephen P. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 6857 - 6864 |
| a | 9.1864 ± 0.0003 Å |
| b | 20.8702 ± 0.0007 Å |
| c | 13.5759 ± 0.0005 Å |
| α | 90° |
| β | 101.606 ± 0.003° |
| γ | 90° |
| Cell volume | 2549.58 ± 0.15 Å3 |
| Cell temperature | 120 ± 0.1 K |
| Ambient diffraction temperature | 120 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.0398 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0651 |
| Weighted residual factors for all reflections included in the refinement | 0.0684 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265722 (current) | 2021-06-03 | cif/ Adding structures of 4518762 via cif-deposit CGI script. |
4518762.cif |
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