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Information card for entry 4517641
Preview
| Coordinates | 4517641.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H16 Br N O2 |
|---|---|
| Calculated formula | C19 H16 Br N O2 |
| Title of publication | Gold(I)-Catalyzed Highly Enantioselective [4 + 2]-Annulations of Cyclopentadienes with Nitrosoarenes via Nitroso-Povarov versus Oxidative Nitroso-Povarov Reactions |
| Authors of publication | Jadhav, Prakash D.; Chen, Jia-Xuan; Liu, Rai-Shung |
| Journal of publication | ACS Catalysis |
| Year of publication | 2020 |
| Pages of publication | 5840 |
| a | 6.4745 ± 0.0005 Å |
| b | 6.9054 ± 0.0005 Å |
| c | 18.0777 ± 0.0014 Å |
| α | 90° |
| β | 99.293 ± 0.002° |
| γ | 90° |
| Cell volume | 797.63 ± 0.1 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 | 0.0229 |
| Residual factor for significantly intense reflections | 0.0217 |
| Weighted residual factors for significantly intense reflections | 0.0518 |
| Weighted residual factors for all reflections included in the refinement | 0.0661 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251750 (current) | 2020-05-05 | cif/ Adding structures of 4517641 via cif-deposit CGI script. |
4517641.cif |
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Users of the data should acknowledge the original authors of the
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