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Information card for entry 4038621
Preview
| Coordinates | 4038621.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2.75 H1.88 N0.12 O0.12 |
|---|---|
| Calculated formula | C2.75 H1.875 N0.125 O0.125 |
| Title of publication | Rhodium(III)-Catalyzed Direct Coupling of Quinoline-8-Carbaldehydes with (Het)Arylboronic Acids for the Synthesis of 8-Aryloylquinolines. |
| Authors of publication | Lyu, Xue-Li; Huang, Shi-Sheng; Huang, Yuan-Qiong; Li, Yongqiang; Song, Hong-Jian; Liu, Yuxiu; Wang, Qingmin |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 7.6652 ± 0.0003 Å |
| b | 10.2251 ± 0.0003 Å |
| c | 10.0678 ± 0.0004 Å |
| α | 90° |
| β | 97.411 ± 0.003° |
| γ | 90° |
| Cell volume | 782.5 ± 0.05 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0334 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0834 |
| Weighted residual factors for all reflections included in the refinement | 0.0855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254627 (current) | 2020-07-29 | cif/ Adding structures of 4038621 via cif-deposit CGI script. |
4038621.cif |
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Users of the data should acknowledge the original authors of the
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