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Information card for entry 4518041
Preview
| Coordinates | 4518041.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H22 B N2 O3 S Si |
|---|---|
| Calculated formula | C18 H22 B N2 O3 S Si |
| Title of publication | Boron Recycling in the Metal-Free Transfer C‒H Borylation of Terminal Alkynes and Heteroarenes |
| Authors of publication | Desrosiers, Vincent; Garcia, Cecilia Zavaleta; Fontaine, Frédéric-Georges |
| Journal of publication | ACS Catalysis |
| Year of publication | 2020 |
| Pages of publication | 11046 |
| a | 8.5976 ± 0.0004 Å |
| b | 9.2734 ± 0.0005 Å |
| c | 12.5694 ± 0.0006 Å |
| α | 104.461 ± 0.002° |
| β | 99.599 ± 0.002° |
| γ | 96.061 ± 0.002° |
| Cell volume | 945.36 ± 0.08 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1336 |
| Weighted residual factors for all reflections included in the refinement | 0.1343 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256410 (current) | 2020-09-15 | cif/ Adding structures of 4518041 via cif-deposit CGI script. |
4518041.cif |
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