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Information card for entry 7156810
Preview
| Coordinates | 7156810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H24 O2 S |
|---|---|
| Calculated formula | C30 H24 O2 S |
| Title of publication | N-Heterocyclic carbene-catalyzed diastereoselective synthesis of sulfenylated indanes via sulfa-Michael-Michael (aldol) cascade reactions. |
| Authors of publication | Feng, Ze-Nan; Luo, Jin-Yun; Zhang, Yang; Du, Guang-Fen; He, Lin |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 19 |
| Pages of publication | 4700 - 4704 |
| a | 7.6174 ± 0.0003 Å |
| b | 26.721 ± 0.0013 Å |
| c | 34.0314 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6926.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1403 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1306 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7156810.cif |
| 225152 | 2019-11-08 | cif/ Updating files of 7156810 Original log message: Adding full bibliography for 7156810.cif. |
7156810.cif |
| 214787 | 2019-04-26 | cif/ Adding structures of 7156810 via cif-deposit CGI script. |
7156810.cif |
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Users of the data should acknowledge the original authors of the
structural data.