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Information card for entry 4518086
Preview
| Coordinates | 4518086.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H31 N O Si |
|---|---|
| Calculated formula | C26 H31 N O Si |
| Title of publication | Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination |
| Authors of publication | Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong |
| Journal of publication | ACS Catalysis |
| Year of publication | 2020 |
| Pages of publication | 11693 - 11699 |
| a | 24.9365 ± 0.0009 Å |
| b | 11.3131 ± 0.0004 Å |
| c | 8.3785 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2363.65 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0274 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.0758 |
| Weighted residual factors for all reflections included in the refinement | 0.0758 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0695 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256738 (current) | 2020-09-25 | cif/ Adding structures of 4518086 via cif-deposit CGI script. |
4518086.cif |
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