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Information card for entry 7159918
Preview
| Coordinates | 7159918.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H18 Cl F O3 S |
|---|---|
| Calculated formula | C28 H18 Cl F O3 S |
| Title of publication | BF3·Et2O Assisted Synthesis of Sulfinylated Spiro[5.5]trienones from Biaryl ynones |
| Authors of publication | Roy, Barnali; Kuila, Puspendu; Jha, Sangam; Sarkar, Debayan |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2024 |
| a | 20.5567 ± 0.0002 Å |
| b | 11.19093 ± 0.00014 Å |
| c | 9.50595 ± 0.00012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2186.83 ± 0.04 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0447 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.1241 |
| Weighted residual factors for all reflections included in the refinement | 0.1261 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0452 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291361 (current) | 2024-04-26 | cif/ Adding structures of 7159918, 7159919 via cif-deposit CGI script. |
7159918.cif |
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Users of the data should acknowledge the original authors of the
structural data.