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Information card for entry 7251036
Preview
| Coordinates | 7251036.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H2 F10 O S |
|---|---|
| Calculated formula | C13 H2 F10 O S |
| Title of publication | Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides. |
| Authors of publication | Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo |
| Journal of publication | RSC advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 45 |
| Pages of publication | 37824 - 37832 |
| a | 12.966 ± 0.003 Å |
| b | 5.3774 ± 0.0011 Å |
| c | 9.6002 ± 0.0019 Å |
| α | 90° |
| β | 93.82 ± 0.03° |
| γ | 90° |
| Cell volume | 667.9 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0399 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.1048 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302925 (current) | 2025-10-16 | cif/ Adding structures of 7251027, 7251028, 7251029, 7251030, 7251031, 7251032, 7251033, 7251034, 7251035, 7251036 via cif-deposit CGI script. |
7251036.cif |
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Users of the data should acknowledge the original authors of the
structural data.