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Information card for entry 4135316
Preview
| Coordinates | 4135316.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H19 N O2 |
|---|---|
| Calculated formula | C26 H19 N O2 |
| Title of publication | Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis |
| Authors of publication | Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 9.3925 ± 0.0007 Å |
| b | 22.0153 ± 0.0017 Å |
| c | 9.7818 ± 0.0007 Å |
| α | 90° |
| β | 91.787 ± 0.002° |
| γ | 90° |
| Cell volume | 2021.7 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0303 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0793 |
| Weighted residual factors for all reflections included in the refinement | 0.0794 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258631 (current) | 2020-10-30 | cif/ Adding structures of 4135316 via cif-deposit CGI script. |
4135316.cif |
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Users of the data should acknowledge the original authors of the
structural data.