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Information card for entry 1571408
Preview
| Coordinates | 1571408.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H44 F6 O7 S4 |
|---|---|
| Calculated formula | C59 H44 F6 O7 S4 |
| Title of publication | Palladium-Catalyzed Regio- and Stereoselective Phosphination of Cyclic Biarylsulfonium Salts to Access Atropoisomeric Phosphines |
| Authors of publication | Sun, Jinghui; Yan, Yifei; Chen, Xuanxuan; Huang, Zhiwei; Huang, Yinhua |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 23.6038 ± 0.0016 Å |
| b | 12.3774 ± 0.0009 Å |
| c | 17.1095 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4998.6 ± 0.6 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1018 |
| Residual factor for significantly intense reflections | 0.0667 |
| Weighted residual factors for significantly intense reflections | 0.1613 |
| Weighted residual factors for all reflections included in the refinement | 0.1835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291145 (current) | 2024-04-10 | cif/ Adding structures of 1571408, 1571409, 1571410 via cif-deposit CGI script. |
1571408.cif |
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Users of the data should acknowledge the original authors of the
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