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Information card for entry 1561174
Preview
| Coordinates | 1561174.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H21 Cl4 N O2 S |
|---|---|
| Calculated formula | C37 H21 Cl4 N 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 | 9.0387 ± 0.0007 Å |
| b | 12.2872 ± 0.0011 Å |
| c | 15.4499 ± 0.0013 Å |
| α | 70.572 ± 0.004° |
| β | 83.642 ± 0.003° |
| γ | 86.486 ± 0.004° |
| Cell volume | 1607.7 ± 0.2 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0956 |
| Residual factor for significantly intense reflections | 0.0746 |
| Weighted residual factors for significantly intense reflections | 0.2151 |
| Weighted residual factors for all reflections included in the refinement | 0.233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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. |
1561174.cif |
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Users of the data should acknowledge the original authors of the
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