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Information card for entry 4519062
Preview
| Coordinates | 4519062.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H27 N3 Si |
|---|---|
| Calculated formula | C31 H27 N3 Si |
| Title of publication | Rh(III)-Catalyzed [3 + 2] Annulation of Aniline Derivatives with Vinylsilanes via C–H Activation/Alkene Cyclization: Access to Highly Regioselective Indoline Derivatives |
| Authors of publication | Khake, Shrikant M.; Chatani, Naoto |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 19 |
| Pages of publication | 12375 - 12383 |
| a | 9.4517 ± 0.0005 Å |
| b | 10.586 ± 0.0007 Å |
| c | 13.7057 ± 0.0007 Å |
| α | 109.919 ± 0.006° |
| β | 90.438 ± 0.004° |
| γ | 106.701 ± 0.006° |
| Cell volume | 1226.4 ± 0.14 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1242 |
| Residual factor for significantly intense reflections | 0.0971 |
| Weighted residual factors for significantly intense reflections | 0.2811 |
| Weighted residual factors for all reflections included in the refinement | 0.3174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.199 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269484 (current) | 2021-10-03 | cif/ Adding structures of 4519062 via cif-deposit CGI script. |
4519062.cif |
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Users of the data should acknowledge the original authors of the
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