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Information card for entry 4131778
Preview
| Coordinates | 4131778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H34 B N O5 |
|---|---|
| Calculated formula | C24 H34 B N O5 |
| Title of publication | Ni-Catalyzed Enantioselective Conjunctive Coupling with C(sp<sup>3</sup>) Electrophiles: A Radical-Ionic Mechanistic Dichotomy. |
| Authors of publication | Lovinger, Gabriel J.; Morken, James P. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 48 |
| Pages of publication | 17293 - 17296 |
| a | 9.2754 ± 0.0003 Å |
| b | 10.71 ± 0.0004 Å |
| c | 12.1411 ± 0.0004 Å |
| α | 90° |
| β | 101.584 ± 0.002° |
| γ | 90° |
| Cell volume | 1181.52 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0499 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.128 |
| Weighted residual factors for all reflections included in the refinement | 0.1291 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241934 (current) | 2019-11-25 | cif/ Adding structures of 4131778 via cif-deposit CGI script. |
4131778.cif |
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Users of the data should acknowledge the original authors of the
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