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Information card for entry 1565150
Preview
| Coordinates | 1565150.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H22 N2 O5 |
|---|---|
| Calculated formula | C22 H22 N2 O5 |
| Title of publication | Skeletal remodeling of chalcone-based pyridinium salts to access isoindoline polycycles and their bridged derivatives |
| Authors of publication | Wang, Lele; Han, Hua-Bin; Gu, Lijie; Zhang, Wenjing; Zhao, Junwei; Wang, Qi-Lin |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 7.5481 ± 0.0002 Å |
| b | 11.4787 ± 0.0003 Å |
| c | 12.3488 ± 0.0004 Å |
| α | 64.2362 ± 0.0013° |
| β | 78.0893 ± 0.0013° |
| γ | 87.4663 ± 0.0015° |
| Cell volume | 941.57 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0606 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.149 |
| Weighted residual factors for all reflections included in the refinement | 0.1564 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270546 (current) | 2021-11-10 | cif/ Adding structures of 1565143, 1565144, 1565145, 1565146, 1565147, 1565148, 1565149, 1565150, 1565151, 1565152, 1565153, 1565154 via cif-deposit CGI script. |
1565150.cif |
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Users of the data should acknowledge the original authors of the
structural data.