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Information card for entry 4517148
Preview
| Coordinates | 4517148.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H21 N O2 |
|---|---|
| Calculated formula | C17 H21 N O2 |
| SMILES | O=C(OC)C1=CN([C@](C=C1)(c1cc(cc(c1)C)C)C)C |
| Title of publication | Enantioselective Synthesis of Dihydropyridines Containing Quaternary Stereocenters Through Dearomatization of Pyridinium Salts |
| Authors of publication | Robinson, Donovan J.; Spurlin, Sean P.; Gorden, John D.; Karimov, Rashad R. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Pages of publication | 51 |
| a | 6.3498 ± 0.0003 Å |
| b | 10.024 ± 0.0004 Å |
| c | 11.8562 ± 0.0005 Å |
| α | 90° |
| β | 98.403 ± 0.001° |
| γ | 90° |
| Cell volume | 746.55 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0361 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Weighted residual factors for all reflections included in the refinement | 0.1031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243787 (current) | 2019-11-28 | cif/ Adding structures of 4517148 via cif-deposit CGI script. |
4517148.cif |
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Users of the data should acknowledge the original authors of the
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