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Information card for entry 1558553
Preview
| Coordinates | 1558553.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H14 O6 |
|---|---|
| Calculated formula | C14 H14 O6 |
| Title of publication | Formal Oxo- and Aza-[3+2] Reactions of α-Enaminones and Quinones: A Double Divergent Process and the Roles of Chiral Phosphoric Acid and Molecular Sieves |
| Authors of publication | Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir; Cundari, Thomas R.; Wang, Hong |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 7.17307 ± 0.00003 Å |
| b | 9.46902 ± 0.00005 Å |
| c | 36.9162 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2507.42 ± 0.02 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0314 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0804 |
| Weighted residual factors for all reflections included in the refinement | 0.0806 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254162 (current) | 2020-07-10 | cif/ Adding structures of 1558552, 1558553, 1558554 via cif-deposit CGI script. |
1558553.cif |
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Users of the data should acknowledge the original authors of the
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