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Information card for entry 7160531
Preview
| Coordinates | 7160531.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | yy-1 |
|---|---|
| Formula | C32 H26 Br N O5 S |
| Calculated formula | C32 H26 Br N O5 S |
| Title of publication | Chiral Brønsted acid-catalyzed intermolecular hydrophenoxylation of ynamides with biaryl phenols via sequential desymmetrization/kinetic resolution |
| Authors of publication | Yu, Yu; Chen, Min |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 6.3191 ± 0.0006 Å |
| b | 21.29 ± 0.002 Å |
| c | 21.29 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2864.2 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0368 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0709 |
| Weighted residual factors for all reflections included in the refinement | 0.0734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299571 (current) | 2025-05-08 | cif/ Adding structures of 7160531 via cif-deposit CGI script. |
7160531.cif |
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