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Information card for entry 1545888
Preview
| Coordinates | 1545888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H25 N O2 S2 |
|---|---|
| Calculated formula | C25 H25 N O2 S2 |
| SMILES | S(=O)(=O)(N(C1=C(CCC1Sc1ccccc1)c1ccccc1)C)c1ccc(cc1)C |
| Title of publication | Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations. |
| Authors of publication | Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 9 |
| Pages of publication | 2414 - 2417 |
| a | 8.6354 ± 0.0004 Å |
| b | 9.6432 ± 0.0004 Å |
| c | 14.338 ± 0.0007 Å |
| α | 100.662 ± 0.003° |
| β | 96.56 ± 0.002° |
| γ | 112.543 ± 0.002° |
| Cell volume | 1060.91 ± 0.09 Å3 |
| Cell temperature | 90 ± 0.5 K |
| Ambient diffraction temperature | 90 ± 0.5 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 | 0.0426 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0904 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197498 (current) | 2017-06-05 | cif/ Updating files of 1545888, 1545889, 1545890, 1545891, 1545892 Original log message: Adding full bibliography for 1545888--1545892.cif. |
1545888.cif |
| 195827 | 2017-04-28 | cif/ Adding structures of 1545888 via cif-deposit CGI script. |
1545888.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.