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Information card for entry 7123840
Preview
| Coordinates | 7123840.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H18 O2 S |
|---|---|
| Calculated formula | C18 H18 O2 S |
| Title of publication | Lewis Base-Catalyzed Asymmetric Sulfenylation of Alkenes: Construction of Sulfenylated Lactones and Application to the Formal Syntheses of (-)-Nicotlactone B and (−)-Galbacin |
| Authors of publication | Luo, Hui-Yun; Xie, Yu-Yang; Song, Xu-Feng; Dong, Jia-Wei; Zhu, Deng; Chen, Zhi-Min |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 6.79 ± 0.003 Å |
| b | 8.39 ± 0.002 Å |
| c | 8.689 ± 0.003 Å |
| α | 108.45 ± 0.03° |
| β | 102.39 ± 0.03° |
| γ | 112.79 ± 0.04° |
| Cell volume | 399.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.043 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0932 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7123840.cif |
| 216984 | 2019-07-13 | cif/ Adding structures of 7123839, 7123840 via cif-deposit CGI script. |
7123840.cif |
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Users of the data should acknowledge the original authors of the
structural data.