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Information card for entry 1561172
Preview
| Coordinates | 1561172.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H25 N1.75 O2 S |
|---|---|
| Calculated formula | C38 H25 N1.75 O2 S |
| Title of publication | Harnessing Sulfur and Nitrogen in the Cobalt (III)-Catalyzed Unsymmetrical Double Annulation of Thioamides: Probing the Origin of Chemo- and Regioselectivity |
| Authors of publication | Shankar, Majji; Saha, Arijit; Sau, Somratan; Ghosh, Arghadip; Gandon, Vincent; Sahoo, Akhila Kumar |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 9.341 ± 0.0002 Å |
| b | 11.8743 ± 0.0002 Å |
| c | 14.2 ± 0.0002 Å |
| α | 103.803 ± 0.001° |
| β | 92 ± 0.002° |
| γ | 108.233 ± 0.002° |
| Cell volume | 1442.47 ± 0.05 Å3 |
| Cell temperature | 306.42 ± 0.11 K |
| Ambient diffraction temperature | 306.42 ± 0.11 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1191 |
| Residual factor for significantly intense reflections | 0.0855 |
| Weighted residual factors for significantly intense reflections | 0.279 |
| Weighted residual factors for all reflections included in the refinement | 0.3122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263189 (current) | 2021-03-20 | cif/ Adding structures of 1561172, 1561173, 1561174 via cif-deposit CGI script. |
1561172.cif |
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Users of the data should acknowledge the original authors of the
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