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Information card for entry 4131151
Preview
| Coordinates | 4131151.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H15 F3 N2 O3 |
|---|---|
| Calculated formula | C21 H15 F3 N2 O3 |
| SMILES | FC(F)(F)COC(=O)C[C@H]1[C@]2(N(c3c1cccc3)C(=O)c1c2cccc1)CC#N |
| Title of publication | Enantioselective Total Synthesis of (+)-Hinckdentine A via a Catalytic Dearomatization Approach. |
| Authors of publication | Douki, Kazuya; Ono, Hiroyuki; Taniguchi, Tohru; Shimokawa, Jun; Kitamura, Masato; Fukuyama, Tohru |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 44 |
| Pages of publication | 14578 - 14581 |
| a | 12.636 ± 0.003 Å |
| b | 12.616 ± 0.003 Å |
| c | 23.911 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3811.8 ± 1.5 Å3 |
| Cell temperature | 113 K |
| Ambient diffraction temperature | 113 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 significantly intense reflections | 0.042 |
| Weighted residual factors for all reflections included in the refinement | 0.1144 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241431 (current) | 2019-11-25 | cif/ Adding structures of 4131151 via cif-deposit CGI script. |
4131151.cif |
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