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Information card for entry 7157286
Preview
| Coordinates | 7157286.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H20 Br N O2 S |
|---|---|
| Calculated formula | C28 H20 Br N O2 S |
| Title of publication | p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation. |
| Authors of publication | Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 2 |
| Pages of publication | 305 - 315 |
| a | 10.295 ± 0.0015 Å |
| b | 15.616 ± 0.002 Å |
| c | 14.892 ± 0.002 Å |
| α | 90° |
| β | 108.857 ± 0.004° |
| γ | 90° |
| Cell volume | 2265.6 ± 0.5 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 6 |
| 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 | 0.0447 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.0914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157286.cif |
| 247824 | 2020-02-04 | cif/ Updating files of 7157286, 7157287, 7157288, 7157289, 7157290, 7157291, 7157292 Original log message: Adding full bibliography for 7157286--7157292.cif. |
7157286.cif |
| 246398 | 2020-01-01 | cif/ Adding structures of 7157286, 7157287, 7157288, 7157289, 7157290, 7157291, 7157292 via cif-deposit CGI script. |
7157286.cif |
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Users of the data should acknowledge the original authors of the
structural data.