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Information card for entry 4514209
Preview
| Coordinates | 4514209.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H32 Cl2 N6 |
|---|---|
| Calculated formula | C35 H32 Cl2 N6 |
| Title of publication | Cp*CoIII-Catalyzed Branch-Selective Hydroarylation of Alkynes via C–H Activation: Efficient Access to α-gem-Vinylindoles |
| Authors of publication | Zhou, Xukai; Luo, Yixin; Kong, Lingheng; Xu, Youwei; Zheng, Guangfan; Lan, Yu; Li, Xingwei |
| Journal of publication | ACS Catalysis |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 10 |
| Pages of publication | 7296 |
| a | 11.9189 ± 0.0008 Å |
| b | 11.9269 ± 0.0008 Å |
| c | 13.6776 ± 0.0009 Å |
| α | 89.671 ± 0.005° |
| β | 67.67 ± 0.006° |
| γ | 63.388 ± 0.007° |
| Cell volume | 1575.9 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0865 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.1614 |
| Weighted residual factors for all reflections included in the refinement | 0.1908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.929 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4514209.cif |
| 202649 | 2017-11-07 | cif/ Updating files of 4514209 Original log message: Adding full bibliography for 4514209.cif. |
4514209.cif |
| 201309 | 2017-09-27 | cif/ Adding structures of 4514209 via cif-deposit CGI script. |
4514209.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.