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Information card for entry 1574097
Preview
| Coordinates | 1574097.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H17 N O |
|---|---|
| Calculated formula | C14 H17 N O |
| Title of publication | Pd-Catalyzed Enantioselective Access to Hydrocarbazolones Containing Contiguous Quaternary and Tertiary Stereocenters |
| Authors of publication | Sun, Hao; Yu, Cheng-Long; Zheng, Yu-Qing; Shu, Peng-Fei; Dong, Zhan; Xia, Yucheng; Liu, Wen-Bo |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 8.046 ± 0.0001 Å |
| b | 18.2634 ± 0.0002 Å |
| c | 8.5597 ± 0.0001 Å |
| α | 90° |
| β | 108.345 ± 0.001° |
| γ | 90° |
| Cell volume | 1193.9 ± 0.03 Å3 |
| Cell temperature | 249.97 ± 0.1 K |
| Ambient diffraction temperature | 249.97 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0276 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0732 |
| Weighted residual factors for all reflections included in the refinement | 0.0738 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298354 (current) | 2025-03-11 | cif/ Adding structures of 1574097, 1574098 via cif-deposit CGI script. |
1574097.cif |
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Users of the data should acknowledge the original authors of the
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