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Information card for entry 4519061
Preview
| Coordinates | 4519061.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H26 Cl2 N3 Rh |
|---|---|
| Calculated formula | C21 H26 Cl2 N3 Rh |
| 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 | 7.1752 ± 0.0002 Å |
| b | 8.6053 ± 0.0002 Å |
| c | 18.3209 ± 0.0005 Å |
| α | 83.552 ± 0.002° |
| β | 89.982 ± 0.002° |
| γ | 67.377 ± 0.003° |
| Cell volume | 1036.44 ± 0.05 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0338 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0697 |
| Weighted residual factors for all reflections included in the refinement | 0.0715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269483 (current) | 2021-10-03 | cif/ Adding structures of 4519061 via cif-deposit CGI script. |
4519061.cif |
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Users of the data should acknowledge the original authors of the
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