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Information card for entry 4135318
Preview
| Coordinates | 4135318.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H12 Br N O2 |
|---|---|
| Calculated formula | C17 H12 Br 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 | 5.8908 ± 0.0003 Å |
| b | 7.3386 ± 0.0004 Å |
| c | 33.7998 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1461.17 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0766 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0733 |
| Weighted residual factors for all reflections included in the refinement | 0.0866 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.934 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258633 (current) | 2020-10-30 | cif/ Adding structures of 4135318 via cif-deposit CGI script. |
4135318.cif |
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Users of the data should acknowledge the original authors of the
structural data.