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Information card for entry 4038860
Preview
| Coordinates | 4038860.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H28 N O6.5 |
|---|---|
| Calculated formula | C22 H28 N O6.5 |
| Title of publication | Synthesis of Flavonols via Pyrrolidine Catalysis: Origins of the Selectivity for Flavonol versus Aurone. |
| Authors of publication | Xiong, Wei; Wang, Xiaohong; Shen, Xianyan; Hu, Cuifang; Wang, Xin; Wang, Fei; Zhang, Guolin; Wang, Chun |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 22.801 ± 0.005 Å |
| b | 17.372 ± 0.004 Å |
| c | 13.239 ± 0.003 Å |
| α | 90° |
| β | 94.494 ± 0.007° |
| γ | 90° |
| Cell volume | 5228 ± 2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0706 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.2012 |
| Weighted residual factors for all reflections included in the refinement | 0.2102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 1.34138 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256958 (current) | 2020-10-03 | cif/ Adding structures of 4038860 via cif-deposit CGI script. |
4038860.cif |
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Users of the data should acknowledge the original authors of the
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