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Information card for entry 1565139
Preview
| Coordinates | 1565139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H20 Br Mn N2 O3 S |
|---|---|
| Calculated formula | C16 H20 Br Mn N2 O3 S |
| SMILES | [Br-].[Mn]12([S](CC)CC[NH]1C1c3[n]2cccc3CCC1)(C#[O])(C#[O])C#[O] |
| Title of publication | Direct synthesis of ring-fused quinolines and pyridines catalyzed by NNHY-ligated manganese complexes (Y = NR2 or SR) |
| Authors of publication | Wang, Zheng; Lin, Qing; Ma, Ning; Liu, Song; Han, Mingyang; Yan, Xiuli; Liu, Qingbin; Solan, Gregory A.; Sun, Wen-Hua |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 24 |
| Pages of publication | 8026 - 8036 |
| a | 7.71788 ± 0.00015 Å |
| b | 10.1753 ± 0.0002 Å |
| c | 13.2154 ± 0.0002 Å |
| α | 103.067 ± 0.0016° |
| β | 101.353 ± 0.0015° |
| γ | 108.667 ± 0.0017° |
| Cell volume | 916.12 ± 0.03 Å3 |
| Cell temperature | 169.98 ± 0.1 K |
| Ambient diffraction temperature | 169.98 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0341 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0915 |
| Weighted residual factors for all reflections included in the refinement | 0.0919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0414 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271826 (current) | 2022-01-06 | cif/ Updating files of 1565138, 1565139, 1565140 Original log message: Adding full bibliography for 1565138--1565140.cif. |
1565139.cif |
| 270541 | 2021-11-10 | cif/ Adding structures of 1565138, 1565139, 1565140 via cif-deposit CGI script. |
1565139.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.