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Information card for entry 4518085
Preview
| Coordinates | 4518085.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H55.66 Cl2 N2 O2.83 Si2 |
|---|---|
| Calculated formula | C39 H55.66 Cl2 N2 O2.83 Si2 |
| 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 | 7.4568 ± 0.0002 Å |
| b | 20.0275 ± 0.0005 Å |
| c | 27.8489 ± 0.0007 Å |
| α | 88.958 ± 0.001° |
| β | 84.338 ± 0.001° |
| γ | 80.073 ± 0.001° |
| Cell volume | 4076.73 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0713 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.151 |
| Weighted residual factors for all reflections included in the refinement | 0.1624 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256737 (current) | 2020-09-25 | cif/ Adding structures of 4518085 via cif-deposit CGI script. |
4518085.cif |
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