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Information card for entry 7160434
Preview
| Coordinates | 7160434.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H37 N O3 |
|---|---|
| Calculated formula | C29 H37 N O3 |
| Title of publication | Ni-catalyzed Highly Regioselective Carboborylation Bifunctionali-zation of Allenes: Access to the α-Substituted-γ-boro-δ-enoates |
| Authors of publication | Liu, Lingyan; Wu, Jing; Guo, Xinman; Zou, Jinghan; Wang, Ziyu; Chang, Weixing; Li, Jing |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 9.7654 ± 0.0004 Å |
| b | 10.6359 ± 0.0005 Å |
| c | 24.7507 ± 0.0009 Å |
| α | 90° |
| β | 93.508 ± 0.004° |
| γ | 90° |
| Cell volume | 2565.89 ± 0.19 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1191 |
| Residual factor for significantly intense reflections | 0.1073 |
| Weighted residual factors for significantly intense reflections | 0.2661 |
| Weighted residual factors for all reflections included in the refinement | 0.2757 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298536 (current) | 2025-03-20 | cif/ Adding structures of 7160434 via cif-deposit CGI script. |
7160434.cif |
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