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Information card for entry 4038606
Preview
| Coordinates | 4038606.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H24 N2 O |
|---|---|
| Calculated formula | C32 H26 N2 O |
| Title of publication | Synthesis of 1,6-Dihydropyridine-3-carbonitrile Derivatives via Lewis Acid-Catalyzed Annulation of Propargylic Alcohols with (E)-3-amino-3-phenylacrylonitriles. |
| Authors of publication | Du, Li-Juan; Zhang, Yuecheng; Zhang, Hong-Yu; Yin, Guohui; Wang, Xiao-Yan; Zhao, Jiquan; Han, Ya-Ping |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 9.2416 ± 0.0005 Å |
| b | 18.9953 ± 0.0011 Å |
| c | 14.738 ± 0.0007 Å |
| α | 90° |
| β | 103.756 ± 0.005° |
| γ | 90° |
| Cell volume | 2513 ± 0.2 Å3 |
| Cell temperature | 292.9 ± 0.1 K |
| Ambient diffraction temperature | 292.9 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1375 |
| Residual factor for significantly intense reflections | 0.0868 |
| Weighted residual factors for significantly intense reflections | 0.1871 |
| Weighted residual factors for all reflections included in the refinement | 0.2198 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254560 (current) | 2020-07-25 | cif/ Adding structures of 4038606 via cif-deposit CGI script. |
4038606.cif |
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Users of the data should acknowledge the original authors of the
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