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Information card for entry 7160560
Preview
| Coordinates | 7160560.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H21 N O2 |
|---|---|
| Calculated formula | C27 H21 N O2 |
| Title of publication | Catalytic dynamic kinetic reductive addition of simple aldehydes and aldimines with heterobiaryl triflates: harnessing both central and axial chirality |
| Authors of publication | Ni, Hui; Liu, Anyao; Fu, Xiaoying; Zhang, Xinyi; Xue, Xiaowen; Lyu, Xiang; Lin, Aijun; He, Yuli |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 6.3648 ± 0.0002 Å |
| b | 9.0644 ± 0.0003 Å |
| c | 9.3365 ± 0.0003 Å |
| α | 73.81 ± 0.001° |
| β | 73.504 ± 0.001° |
| γ | 85.164 ± 0.001° |
| Cell volume | 495.99 ± 0.03 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0448 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299759 (current) | 2025-05-21 | cif/ Adding structures of 7160560 via cif-deposit CGI script. |
7160560.cif |
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Users of the data should acknowledge the original authors of the
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