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Information card for entry 7160642
Preview
| Coordinates | 7160642.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H32 N O P |
|---|---|
| Calculated formula | C36 H32 N O P |
| Title of publication | Stereoinversion in Pd-Catalyzed Allylic Substitution Induced by Modification of Olefinic Moiety in Chiral Phosphine-Acrylamide Ligands |
| Authors of publication | Watanabe, Kohei; Toba, Yuto; Mita, Shimpei; Kanda, Yusuke; Yagi, Toru; Kanauchi, Kento; Kumada, Manami; Yoshida, Yasushi; Kasashima, Yoshio; TAKITA, Ryo; Sakamoto, Masami; Mino, Takashi |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 8.631 ± 0.003 Å |
| b | 11.371 ± 0.004 Å |
| c | 29.685 ± 0.011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2913.4 ± 1.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1559 |
| Residual factor for significantly intense reflections | 0.0846 |
| Weighted residual factors for significantly intense reflections | 0.1943 |
| Weighted residual factors for all reflections included in the refinement | 0.233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301298 (current) | 2025-07-19 | cif/ Adding structures of 7160641, 7160642, 7160643 via cif-deposit CGI script. |
7160642.cif |
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Users of the data should acknowledge the original authors of the
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