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Information card for entry 4133987
Preview
| Coordinates | 4133987.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H29 F3 N2 O6 |
|---|---|
| Calculated formula | C24 H29 F3 N2 O6 |
| SMILES | FC(F)(F)C(=O)[O-].O(CC)C(=O)[C@H]1C[C@@H]2[NH+](C[C@H]1CC(=O)OCC)CCc1c2[nH]c2ccccc12 |
| Title of publication | A Concise, Enantioselective Approach for the Synthesis of Yohimbine Alkaloids. |
| Authors of publication | Miller, Eric R.; Hovey, M. Todd; Scheidt, Karl A. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 12.423 ± 0.0012 Å |
| b | 8.3502 ± 0.0008 Å |
| c | 23.217 ± 0.002 Å |
| α | 90° |
| β | 91.701 ± 0.005° |
| γ | 90° |
| Cell volume | 2407.3 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.99 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 | 0.0316 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0794 |
| Weighted residual factors for all reflections included in the refinement | 0.0799 |
| 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 |
|---|---|---|---|
| 247123 (current) | 2020-01-24 | cif/ Adding structures of 4133987 via cif-deposit CGI script. |
4133987.cif |
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