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Information card for entry 4518038
Preview
| Coordinates | 4518038.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H27 Cl N2 O5 S |
|---|---|
| Calculated formula | C30 H27 Cl N2 O5 S |
| Title of publication | Cu(I)-Catalyzed Enantioselective [5 + 1] Cycloaddition of N-Aromatic Compounds and Alkynes via Chelating-Assisted 1,2-Dearomative Addition |
| Authors of publication | De, Nirupam; Ko, Donguk; Baek, Seung-yeol; Oh, Changjin; Kim, Jiyoung; Baik, Mu-Hyun; Yoo, Eun Jeong |
| Journal of publication | ACS Catalysis |
| Year of publication | 2020 |
| Pages of publication | 10905 |
| a | 9.7732 ± 0.0003 Å |
| b | 22.9861 ± 0.0008 Å |
| c | 12.4889 ± 0.0004 Å |
| α | 90° |
| β | 107.777 ± 0.0011° |
| γ | 90° |
| Cell volume | 2671.64 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0545 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1047 |
| Weighted residual factors for all reflections included in the refinement | 0.1097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256391 (current) | 2020-09-13 | cif/ Adding structures of 4518038 via cif-deposit CGI script. |
4518038.cif |
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Users of the data should acknowledge the original authors of the
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