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Information card for entry 1576042
Preview
| Coordinates | 1576042.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H25 N O6 S |
|---|---|
| Calculated formula | C30 H25 N O6 S |
| Title of publication | Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes via migratory insertion |
| Authors of publication | Huang, Jin-Yu; Qin, Xin-Ting; Rao, Han-Wen; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 16.834 ± 0.005 Å |
| b | 16.834 ± 0.005 Å |
| c | 8.235 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2021 ± 1.1 Å3 |
| Cell temperature | 302 ± 2 K |
| Ambient diffraction temperature | 302 K |
| Number of distinct elements | 5 |
| Space group number | 145 |
| Hermann-Mauguin space group symbol | P 32 |
| Hall space group symbol | P 32 |
| Residual factor for all reflections | 0.0795 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1122 |
| Weighted residual factors for all reflections included in the refinement | 0.1281 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302953 (current) | 2025-10-18 | cif/ Adding structures of 1576040, 1576041, 1576042, 1576043, 1576044 via cif-deposit CGI script. |
1576042.cif |
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Users of the data should acknowledge the original authors of the
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