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Information card for entry 1562619
Preview
| Coordinates | 1562619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H16 N4 O5 S |
|---|---|
| Calculated formula | C21 H16 N4 O5 S |
| Title of publication | Carbene-Catalyzed Enantioselective Annulation of Dinucleophilic Hydrazones and Bromoenals for Access to Aryl-Dihydropyridazinones and Related Drugs |
| Authors of publication | Mondal, Bivas; Maiti, Rakesh; Yang, Xing; Xu, Jun; Tian, Weiyi; Yan, Jialei; Li, Xiangyang; Chi, Yonggui Robin |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 7.345 ± 0.0004 Å |
| b | 11.5313 ± 0.0008 Å |
| c | 23.7692 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2013.2 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0649 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.0856 |
| Weighted residual factors for all reflections included in the refinement | 0.0945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265285 (current) | 2021-05-18 | cif/ Adding structures of 1562619 via cif-deposit CGI script. |
1562619.cif |
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Users of the data should acknowledge the original authors of the
structural data.