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Information card for entry 7222405
Preview
| Coordinates | 7222405.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H7 N3 S |
|---|---|
| Calculated formula | C11 H7 N3 S |
| SMILES | s1c(nc2c1nccc2)c1cccnc1 |
| 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 | 13.203 ± 0.006 Å |
| b | 6.233 ± 0.003 Å |
| c | 11.73 ± 0.006 Å |
| α | 90° |
| β | 104.518 ± 0.004° |
| γ | 90° |
| Cell volume | 934.5 ± 0.8 Å3 |
| Cell temperature | 150.15 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 4 |
| 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 | 0.042 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.1033 |
| Weighted residual factors for all reflections included in the refinement | 0.1066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| 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. |
7222405.cif |
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Users of the data should acknowledge the original authors of the
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