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Information card for entry 7160436
Preview
| Coordinates | 7160436.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H20 O3 S |
|---|---|
| Calculated formula | C19 H20 O3 S |
| Title of publication | One-pot Chemoselective Aerobic Synthesis of Allyl-Aryl Sulfinyls by Photoinduced Na2 - Eosin Y |
| Authors of publication | BALLANKI, TRINADH; Subramanian, Aishwarya; Viswambharan, Baby |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 5.2763 ± 0.0004 Å |
| b | 22.1253 ± 0.0017 Å |
| c | 14.7638 ± 0.0012 Å |
| α | 90° |
| β | 95.053 ± 0.002° |
| γ | 90° |
| Cell volume | 1716.8 ± 0.2 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0919 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1182 |
| Weighted residual factors for all reflections included in the refinement | 0.1484 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298551 (current) | 2025-03-21 | cif/ Adding structures of 7160436 via cif-deposit CGI script. |
7160436.cif |
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Users of the data should acknowledge the original authors of the
structural data.