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Information card for entry 7244948
Preview
| Coordinates | 7244948.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H17 N O2 S |
|---|---|
| Calculated formula | C22 H17 N O2 S |
| SMILES | S(=O)(=O)(c1cc2ccccc2nc1c1ccccc1)c1ccc(cc1)C |
| Title of publication | An approach for the synthesis of 2-aryl-3-sulfonyl substituted quinolines through an electrochemical cascade annulation pathway |
| Authors of publication | Ma, Qiang; Li, Ming; Chen, Zhuo; Ni, Shao-Fei; Wright, James S.; Wen, Li-Rong; Zhang, Lin-Bao |
| Journal of publication | Green Chemistry |
| Year of publication | 2022 |
| Journal volume | 24 |
| Journal issue | 11 |
| Pages of publication | 4425 - 4431 |
| a | 12.5262 ± 0.0004 Å |
| b | 5.4497 ± 0.0002 Å |
| c | 25.0014 ± 0.0009 Å |
| α | 90° |
| β | 93.991 ± 0.003° |
| γ | 90° |
| Cell volume | 1702.56 ± 0.1 Å3 |
| Cell temperature | 170.01 ± 0.1 K |
| Ambient diffraction temperature | 170.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0409 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0989 |
| Weighted residual factors for all reflections included in the refinement | 0.102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| 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 |
|---|---|---|---|
| 276628 (current) | 2022-07-06 | cif/ Updating files of 7244947, 7244948 Original log message: Adding full bibliography for 7244947--7244948.cif. |
7244948.cif |
| 275497 | 2022-05-18 | cif/ Adding structures of 7244947, 7244948 via cif-deposit CGI script. |
7244948.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.