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Information card for entry 7158008
Preview
| Coordinates | 7158008.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H25 N O3 |
|---|---|
| Calculated formula | C31 H25 N O3 |
| Title of publication | Unexpected formal [4 + 2]-cycloaddition of chalcone imines and homophthalic anhydrides: preparation of dihydropyridin-2(1<i>H</i>)-ones. |
| Authors of publication | Guranova, Natalia; Golubev, Pavel; Bakulina, Olga; Dar'in, Dmitry; Kantin, Grigory; Krasavin, Mikhail |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 17 |
| Pages of publication | 3829 - 3833 |
| a | 5.712 ± 0.0001 Å |
| b | 10.0398 ± 0.0002 Å |
| c | 21.6602 ± 0.0003 Å |
| α | 84.51 ± 0.002° |
| β | 87.428 ± 0.002° |
| γ | 78.784 ± 0.002° |
| Cell volume | 1212.4 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0526 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1198 |
| Weighted residual factors for all reflections included in the refinement | 0.1258 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266155 (current) | 2021-06-05 | cif/ Updating files of 7158008, 7158009 Original log message: Adding full bibliography for 7158008--7158009.cif. |
7158008.cif |
| 263889 | 2021-04-06 | cif/ Adding structures of 7158008, 7158009 via cif-deposit CGI script. |
7158008.cif |
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Users of the data should acknowledge the original authors of the
structural data.