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Information card for entry 7131006
Preview
| Coordinates | 7131006.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | SG-46 |
|---|---|
| Formula | C19 H16 N2 O3 |
| Calculated formula | C19 H16 N2 O3 |
| SMILES | c1ccccc1C(=O)Nc1c(ccc(c1)C)C1=NC2(C(=O)O1)CC2 |
| Title of publication | C–H amidation of 2-aryl azlactones under iridium(iii) catalysis: access to chiral amino acids |
| Authors of publication | Park, Min Seo; Chung, Eunjae; Mishra, Neeraj Kumar; Han, Sang Hoon; Han, Sangil; Kim, Saegun; Kim, In Su |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 11.6867 ± 0.001 Å |
| b | 19.3211 ± 0.0017 Å |
| c | 7.1481 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1614 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.1231 |
| Residual factor for significantly intense reflections | 0.069 |
| Weighted residual factors for significantly intense reflections | 0.1191 |
| Weighted residual factors for all reflections included in the refinement | 0.1372 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279299 (current) | 2022-11-16 | cif/ Adding structures of 7131006, 7131007 via cif-deposit CGI script. |
7131006.cif |
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