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Information card for entry 7245396
Preview
| Coordinates | 7245396.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H13 F O3 S |
|---|---|
| Calculated formula | C15 H13 F O3 S |
| SMILES | S(=O)(=O)(c1ccc(cc1)C)CC(=O)c1ccc(F)cc1 |
| Title of publication | Visible-light-mediated synthesis of β-keto sulfones using g-C3N4 as a recyclable photocatalyst under sustainable conditions |
| Authors of publication | Dam, Binoyargha; Sahoo, Ashish Kumar; Patel, Bhisma K. |
| Journal of publication | Green Chemistry |
| Year of publication | 2022 |
| Journal volume | 24 |
| Journal issue | 18 |
| Pages of publication | 7122 - 7130 |
| a | 5.6822 ± 0.0004 Å |
| b | 9.1526 ± 0.0006 Å |
| c | 14.0751 ± 0.001 Å |
| α | 108.654 ± 0.002° |
| β | 100.575 ± 0.002° |
| γ | 91.47 ± 0.002° |
| Cell volume | 678.97 ± 0.08 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1331 |
| Residual factor for significantly intense reflections | 0.1031 |
| Weighted residual factors for significantly intense reflections | 0.233 |
| Weighted residual factors for all reflections included in the refinement | 0.2627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.224 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278432 (current) | 2022-10-07 | cif/ Updating files of 7245396, 7245397 Original log message: Adding full bibliography for 7245396--7245397.cif. |
7245396.cif |
| 277518 | 2022-09-01 | cif/ Adding structures of 7245396, 7245397 via cif-deposit CGI script. |
7245396.cif |
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Users of the data should acknowledge the original authors of the
structural data.