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Information card for entry 4130941
Preview
| Coordinates | 4130941.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H18 Cl4 Cu N2 |
|---|---|
| Calculated formula | C7 H18 Cl4 Cu N2 |
| SMILES | [Cu](Cl)(Cl)([Cl-])[Cl-].[N+]1(C)(C)C[N+](CC1)(C)C |
| Title of publication | Copper Catalysis for Selective Heterocoupling of Terminal Alkynes. |
| Authors of publication | Su, Lebin; Dong, Jianyu; Liu, Long; Sun, Mengli; Qiu, Renhua; Zhou, Yongbo; Yin, Shuang-Feng |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 38 |
| Pages of publication | 12348 - 12351 |
| a | 14.2729 ± 0.0005 Å |
| b | 7.7016 ± 0.0002 Å |
| c | 12.3179 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1354.03 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0244 |
| Residual factor for significantly intense reflections | 0.0225 |
| Weighted residual factors for significantly intense reflections | 0.0538 |
| Weighted residual factors for all reflections included in the refinement | 0.055 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241273 (current) | 2019-11-25 | cif/ Adding structures of 4130941 via cif-deposit CGI script. |
4130941.cif |
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Users of the data should acknowledge the original authors of the
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