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Information card for entry 7225355
Preview
| Coordinates | 7225355.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H10 O4 S2 |
|---|---|
| Calculated formula | C12 H10 O4 S2 |
| SMILES | s1c(c2ccc(C(=O)OC)s2)ccc1C(=O)OC |
| Title of publication | Highly efficient palladium(ii) hydrazone based catalysts for the Suzuki coupling reaction in aqueous medium |
| Authors of publication | Muthumari, Subramanian; Ramesh, Rengan |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 57 |
| Pages of publication | 52101 |
| a | 3.9254 ± 0.0012 Å |
| b | 6.0049 ± 0.0018 Å |
| c | 13.818 ± 0.004 Å |
| α | 77.96 ± 0.004° |
| β | 88.838 ± 0.004° |
| γ | 72.527 ± 0.004° |
| Cell volume | 303.54 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.125 |
| Weighted residual factors for all reflections included in the refinement | 0.1273 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183147 (current) | 2016-05-28 | cif/ Adding structures of 7225355, 7225356, 7225357 via cif-deposit CGI script. |
7225355.cif |
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Users of the data should acknowledge the original authors of the
structural data.