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Information card for entry 7226982
Preview
| Coordinates | 7226982.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 N O3 S |
|---|---|
| Calculated formula | C19 H21 N O3 S |
| SMILES | S1c2[nH]c3ccccc3c2[C@H](C[C@]21CCCC(=O)C2)C(=O)OCC |
| Title of publication | Remote Stereocontrolled Asymmetric 1,6-Addition/1,4-Addition Cascade Reactions between Cyclic Dienones and 2-Indolinethiones |
| Authors of publication | Sun, Xiaohua; Fei, Jie; Zou, Chuncheng; Lu, Min; Ye, Jinxing |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 7.8324 ± 0.0019 Å |
| b | 10.981 ± 0.003 Å |
| c | 20.695 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1779.9 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0508 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.0945 |
| Weighted residual factors for all reflections included in the refinement | 0.0998 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187720 (current) | 2016-11-01 | cif/ Adding structures of 7226980, 7226981, 7226982 via cif-deposit CGI script. |
7226982.cif |
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Users of the data should acknowledge the original authors of the
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