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Information card for entry 4038629
Preview
| Coordinates | 4038629.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H20 Br N O3 S |
|---|---|
| Calculated formula | C28 H20 Br N O3 S |
| Title of publication | Multicomponent Synthesis of Iminocoumarins via Rhodium-Catalyzed C-H Bond Activation. |
| Authors of publication | Chen, Zhan; Jin, Shengnan; Jiang, Wenyao; Zhu, Feimin; Chen, Yuqi; Zhao, Yingwei |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 9.238 ± 0.0007 Å |
| b | 11.0371 ± 0.0009 Å |
| c | 12.9522 ± 0.0007 Å |
| α | 104.269 ± 0.006° |
| β | 101.676 ± 0.005° |
| γ | 98.093 ± 0.006° |
| Cell volume | 1227.84 ± 0.16 Å3 |
| Cell temperature | 273 K |
| Ambient diffraction temperature | 273 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0699 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.1101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0518 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254686 (current) | 2020-07-31 | cif/ Adding structures of 4038629 via cif-deposit CGI script. |
4038629.cif |
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Users of the data should acknowledge the original authors of the
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