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Information card for entry 1559059
Preview
| Coordinates | 1559059.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H37 Cl3 N4 O7 |
|---|---|
| Calculated formula | C41 H37 Cl3 N4 O7 |
| Title of publication | Stereoselective Synthesis of Pentasubstituted 1,3-Dienes via Ni-Catalyzed Reductive Coupling of Unsymmetrical Internal Alkynes |
| Authors of publication | Zhou, Zhijun; Chen, Jiachang; chen, Herong; Kong, Wangqing |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 13.3144 ± 0.0009 Å |
| b | 9.8595 ± 0.0007 Å |
| c | 14.5355 ± 0.001 Å |
| α | 90° |
| β | 95.339 ± 0.002° |
| γ | 90° |
| Cell volume | 1899.8 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0776 |
| Residual factor for significantly intense reflections | 0.0644 |
| Weighted residual factors for significantly intense reflections | 0.1816 |
| Weighted residual factors for all reflections included in the refinement | 0.2025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256333 (current) | 2020-09-11 | cif/ Adding structures of 1559058, 1559059, 1559060 via cif-deposit CGI script. |
1559059.cif |
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Users of the data should acknowledge the original authors of the
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