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Information card for entry 7158592
Preview
| Coordinates | 7158592.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H20 N2 O3 S2 |
|---|---|
| Calculated formula | C28 H20 N2 O3 S2 |
| Title of publication | Sulphur ylide-mediated cyclopropanation and subsequent spirocyclopropane rearrangement reactions. |
| Authors of publication | Dai, Qing-Song; Li, Jun-Long; Wang, Qi-Wei; Yang, Si-Lin; Tao, Ying-Mao; He, Mei-Hao; Li, Qing-Zhu; Han, Bo; Zhang, Xiang |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2022 |
| Journal volume | 20 |
| Journal issue | 17 |
| Pages of publication | 3486 - 3490 |
| a | 11.4722 ± 0.0009 Å |
| b | 11.6024 ± 0.0009 Å |
| c | 11.81 ± 0.0011 Å |
| α | 112.336 ± 0.003° |
| β | 91.537 ± 0.003° |
| γ | 112.501 ± 0.003° |
| Cell volume | 1315.8 ± 0.2 Å3 |
| Cell temperature | 185 ± 2 K |
| Ambient diffraction temperature | 185 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 | 0.0841 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.1188 |
| Weighted residual factors for all reflections included in the refinement | 0.1357 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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