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Information card for entry 7250601
Preview
| Coordinates | 7250601.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H12 F2 O4 S |
|---|---|
| Calculated formula | C17 H12 F2 O4 S |
| Title of publication | Carbamothioate-mediated Selectfluor™ oxidation for the synthesis of benzenesulfonyl fluorides in chalcone derivatives |
| Authors of publication | Jiang, Boye; Zhang, Juan; Wang, Boning; Zhou, Airui; Zou, Yan; Meng, Qingguo; Zhao, Qingjie; Chai, Xiaoyun; Gai, Conghao |
| Journal of publication | RSC Advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 27 |
| Pages of publication | 22018 - 22022 |
| a | 6.819 ± 0.0008 Å |
| b | 14.7869 ± 0.0015 Å |
| c | 14.7647 ± 0.0015 Å |
| α | 90° |
| β | 91.279 ± 0.006° |
| γ | 90° |
| Cell volume | 1488.4 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.1261 |
| Residual factor for significantly intense reflections | 0.1209 |
| Weighted residual factors for significantly intense reflections | 0.3603 |
| Weighted residual factors for all reflections included in the refinement | 0.3626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300254 (current) | 2025-06-28 | cif/ Adding structures of 7250601 via cif-deposit CGI script. |
7250601.cif |
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Users of the data should acknowledge the original authors of the
structural data.