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Information card for entry 4131884
Preview
| Coordinates | 4131884.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H30 O4 |
|---|---|
| Calculated formula | C20 H30 O4 |
| Title of publication | A Regio- and Enantioselective CuH-Catalyzed Ketone Allylation with Terminal Allenes. |
| Authors of publication | Tsai, Erica Y.; Liu, Richard Y.; Yang, Yang; Buchwald, Stephen L. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 6 |
| Pages of publication | 2007 - 2011 |
| a | 6.1913 ± 0.0008 Å |
| b | 8.7775 ± 0.001 Å |
| c | 17.654 ± 0.002 Å |
| α | 90° |
| β | 96.821 ± 0.006° |
| γ | 90° |
| Cell volume | 952.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0359 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.0952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241978 (current) | 2019-11-25 | cif/ Adding structures of 4131884 via cif-deposit CGI script. |
4131884.cif |
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