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Information card for entry 4519224
Preview
| Coordinates | 4519224.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H10 N2 O3 |
|---|---|
| Calculated formula | C9 H10 N2 O3 |
| Title of publication | Decarboxylative Ritter-Type Amination by Cooperative Iodine (I/III)─Boron Lewis Acid Catalysis |
| Authors of publication | Narobe, Rok; Murugesan, Kathiravan; Schmid, Simon; König, Burkhard |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 809 - 817 |
| a | 11.6885 ± 0.0002 Å |
| b | 9.5916 ± 0.0002 Å |
| c | 8.4382 ± 0.0002 Å |
| α | 90° |
| β | 100.162 ± 0.002° |
| γ | 90° |
| Cell volume | 931.18 ± 0.03 Å3 |
| Cell temperature | 123.01 ± 0.1 K |
| Ambient diffraction temperature | 123.01 ± 0.1 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 | 0.0333 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0845 |
| Weighted residual factors for all reflections included in the refinement | 0.0863 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271720 (current) | 2022-01-03 | cif/ Adding structures of 4519224 via cif-deposit CGI script. |
4519224.cif |
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Users of the data should acknowledge the original authors of the
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