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Information card for entry 1566957
Preview
| Coordinates | 1566957.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (2R,3S,4R,5S,6R)-6-((benzoyloxy)methyl)-3-(3,3-dimethyl-2-oxobutyl)tetrahydro-2H-pyran-2,4,5-triyl |
|---|---|
| Formula | C40 H38 O10 |
| Calculated formula | C40 H38 O10 |
| Title of publication | C2-ketonylation of carbohydrates via excited-state palladium-catalyzed 1,2-spin-center shift |
| Authors of publication | Zhao, Gaoyuan; Mukherjee, Upasana; Zhou, Lin; Wu, Yue; Yao, Wang; Mauro, Jaclyn N.; Liu, Peng; Ngai, Ming-Yu |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 13.5907 ± 0.0008 Å |
| b | 15.0346 ± 0.0009 Å |
| c | 18.9632 ± 0.0012 Å |
| α | 97.644 ± 0.002° |
| β | 101.994 ± 0.002° |
| γ | 104.537 ± 0.002° |
| Cell volume | 3598 ± 0.4 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1074 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.0856 |
| Weighted residual factors for all reflections included in the refinement | 0.1022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275347 (current) | 2022-05-12 | cif/ Adding structures of 1566957 via cif-deposit CGI script. |
1566957.cif |
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Users of the data should acknowledge the original authors of the
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