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Information card for entry 4519066
Preview
| Coordinates | 4519066.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H20 N2 O |
|---|---|
| Calculated formula | C21 H20 N2 O |
| Title of publication | Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones |
| Authors of publication | Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 19 |
| Pages of publication | 12384 - 12393 |
| a | 10.5707 ± 0.0012 Å |
| b | 14.0848 ± 0.0015 Å |
| c | 22.353 ± 0.002 Å |
| α | 90° |
| β | 94.915 ± 0.004° |
| γ | 90° |
| Cell volume | 3315.8 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0938 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1221 |
| Weighted residual factors for all reflections included in the refinement | 0.1432 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269488 (current) | 2021-10-03 | cif/ Adding structures of 4519066 via cif-deposit CGI script. |
4519066.cif |
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Users of the data should acknowledge the original authors of the
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