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Information card for entry 1555364
Preview
| Coordinates | 1555364.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H25 N O2 S |
|---|---|
| Calculated formula | C22 H25 N O2 S |
| SMILES | S(=O)(=O)(N1C=CC(C(=C1)CCCC)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 | 8.1967 ± 0.0014 Å |
| b | 9.0717 ± 0.0015 Å |
| c | 15.216 ± 0.003 Å |
| α | 87.208 ± 0.006° |
| β | 82.37 ± 0.006° |
| γ | 65.005 ± 0.005° |
| Cell volume | 1016.4 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 significantly intense reflections | 0.0739 |
| Weighted residual factors for all reflections included in the refinement | 0.1786 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238556 (current) | 2019-11-24 | cif/ Adding structures of 1555364 via cif-deposit CGI script. |
1555364.cif |
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