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Information card for entry 4035639
Preview
| Coordinates | 4035639.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H25 N3 O3 S |
|---|---|
| Calculated formula | C24 H25 N3 O3 S |
| SMILES | S(=O)(=O)(Nc1n(c(nc1c1ccccc1)c1ccccc1)C)c1ccc(cc1)C.OC |
| Title of publication | Rh(II)-Catalyzed Transannulation of 1,2,4-Oxadiazole Derivatives with 1-Sulfonyl-1,2,3-triazoles: Regioselective Synthesis of 5-Sulfonamidoimidazoles. |
| Authors of publication | Strelnikova, Julia O.; Rostovskii, Nikolai V.; Starova, Galina L.; Khlebnikov, Alexander F.; Novikov, Mikhail S. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 18 |
| Pages of publication | 11232 - 11244 |
| a | 8.9612 ± 0.001 Å |
| b | 10.0158 ± 0.0006 Å |
| c | 12.9123 ± 0.0009 Å |
| α | 86.048 ± 0.005° |
| β | 82.551 ± 0.007° |
| γ | 75.919 ± 0.007° |
| Cell volume | 1113.77 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0689 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1156 |
| Weighted residual factors for all reflections included in the refinement | 0.13 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227088 (current) | 2019-11-11 | cif/ Adding structures of 4035639 via cif-deposit CGI script. |
4035639.cif |
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Users of the data should acknowledge the original authors of the
structural data.