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Information card for entry 4518037
Preview
| Coordinates | 4518037.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H26 N2 O4 S |
|---|---|
| Calculated formula | C29 H26 N2 O4 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 | 16.6324 ± 0.0008 Å |
| b | 12.5786 ± 0.0005 Å |
| c | 23.5913 ± 0.0012 Å |
| α | 90° |
| β | 90.5504 ± 0.0018° |
| γ | 90° |
| Cell volume | 4935.4 ± 0.4 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0579 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.0952 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256390 (current) | 2020-09-13 | cif/ Adding structures of 4518037 via cif-deposit CGI script. |
4518037.cif |
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Users of the data should acknowledge the original authors of the
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