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Information card for entry 4517181
Preview
| Coordinates | 4517181.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H16 N2 |
|---|---|
| Calculated formula | C18 H16 N2 |
| Title of publication | Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization |
| Authors of publication | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Pages of publication | 435 |
| a | 12.2928 ± 0.0003 Å |
| b | 6.0102 ± 0.0001 Å |
| c | 36.9034 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2726.5 ± 0.1 Å3 |
| Cell temperature | 99.97 K |
| Ambient diffraction temperature | 99.97 K |
| Number of distinct elements | 3 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0443 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245075 (current) | 2019-12-14 | cif/ Adding structures of 4517181 via cif-deposit CGI script. |
4517181.cif |
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