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Information card for entry 1574126
Preview
| Coordinates | 1574126.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H10 F6 N2 |
|---|---|
| Calculated formula | C18 H10 F6 N2 |
| Title of publication | One-pot synthesis of diaroyl benzothiepine-1,1-dioxides. |
| Authors of publication | Chang, Meng-Yang; Hsueh, Nai-Chen |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| Journal volume | 23 |
| Journal issue | 15 |
| Pages of publication | 3572 - 3582 |
| a | 10.7515 ± 0.0016 Å |
| b | 9.9866 ± 0.0015 Å |
| c | 14.1041 ± 0.0019 Å |
| α | 90° |
| β | 95.72 ± 0.013° |
| γ | 90° |
| Cell volume | 1506.8 ± 0.4 Å3 |
| Cell temperature | 100.01 ± 0.13 K |
| Ambient diffraction temperature | 100.01 ± 0.13 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0788 |
| Residual factor for significantly intense reflections | 0.0694 |
| Weighted residual factors for significantly intense reflections | 0.2092 |
| Weighted residual factors for all reflections included in the refinement | 0.2225 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301156 (current) | 2025-07-06 | cif/ Updating files of 1574120, 1574121, 1574122, 1574123, 1574124, 1574125, 1574126, 1574127 Original log message: Adding full bibliography for 1574120--1574127.cif. |
1574126.cif |
| 298369 | 2025-03-11 | cif/ Adding structures of 1574120, 1574121, 1574122, 1574123, 1574124, 1574125, 1574126, 1574127 via cif-deposit CGI script. |
1574126.cif |
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Users of the data should acknowledge the original authors of the
structural data.