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Information card for entry 7222404
Preview
| Coordinates | 7222404.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H9 N S2 |
|---|---|
| Calculated formula | C15 H9 N S2 |
| SMILES | s1c2c(nc1c1csc3c1cccc3)cccc2 |
| Title of publication | An Efficient Desulfitative C-C Cross Coupling of Fused Thiazolidine-2-thione with Boronic Acids and Boronic Acid Pinacol esters: Formation of Fused Thiazoles |
| Authors of publication | Rajaguru, Kandasamy; Mariappan, Arumugam; Manjusri, Ramachandran; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 25.831 ± 0.003 Å |
| b | 11.8166 ± 0.0011 Å |
| c | 3.9035 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1191.5 ± 0.2 Å3 |
| Cell temperature | 150.15 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0419 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0865 |
| Weighted residual factors for all reflections included in the refinement | 0.0892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 159568 (current) | 2015-10-03 | cif/ Adding structures of 7222404, 7222405 via cif-deposit CGI script. |
7222404.cif |
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Users of the data should acknowledge the original authors of the
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