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Information card for entry 1555362
Preview
| Coordinates | 1555362.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H24 N2 O4 S |
|---|---|
| Calculated formula | C22 H24 N2 O4 S |
| SMILES | S(=O)(=O)(N1C=CC(C(=C1)CC(N(=O)=O)(C)C)c1ccccc1)c1ccc(cc1)C |
| Title of publication | Ruthenium-Porphyrin-Catalyzed [4 + 2] Cycloaddition of α,β-Unsaturated Imines and Aldehydes. |
| Authors of publication | Maeda, Kazuki; Terada, Takuma; Iwamoto, Takahiro; Kurahashi, Takuya; Matsubara, Seijiro |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 21 |
| Pages of publication | 5284 - 5287 |
| a | 15.928 ± 0.004 Å |
| b | 11.573 ± 0.003 Å |
| c | 11.95 ± 0.003 Å |
| α | 90° |
| β | 107.075 ± 0.008° |
| γ | 90° |
| Cell volume | 2105.7 ± 0.9 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for all reflections included in the refinement | 0.1335 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238553 (current) | 2019-11-24 | cif/ Adding structures of 1555362 via cif-deposit CGI script. |
1555362.cif |
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