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Information card for entry 4134717
Preview
| Coordinates | 4134717.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H27 N O3 S |
|---|---|
| Calculated formula | C29 H27 N O3 S |
| Title of publication | Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles: Access to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons. |
| Authors of publication | Hong, Feng-Lin; Chen, Yang-Bo; Ye, Si-Han; Zhu, Guang-Yu; Zhu, Xin-Qi; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| Journal volume | 142 |
| Journal issue | 16 |
| Pages of publication | 7618 - 7626 |
| a | 9.7618 ± 0.0001 Å |
| b | 10.0699 ± 0.0001 Å |
| c | 12.2302 ± 0.0001 Å |
| α | 90° |
| β | 101.541 ± 0.001° |
| γ | 90° |
| Cell volume | 1177.93 ± 0.02 Å3 |
| Cell temperature | 99.8 ± 0.9 K |
| Ambient diffraction temperature | 99.8 ± 0.9 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 | 0.0272 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0671 |
| Weighted residual factors for all reflections included in the refinement | 0.0675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251455 (current) | 2020-05-04 | cif/ Updating files of 4134716, 4134717, 4134718 Original log message: Adding full bibliography for 4134716--4134718.cif. |
4134717.cif |
| 250791 | 2020-04-16 | cif/ Adding structures of 4134717 via cif-deposit CGI script. |
4134717.cif |
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Users of the data should acknowledge the original authors of the
structural data.