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Information card for entry 4038706
Preview
| Coordinates | 4038706.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H28 N2 O3 |
|---|---|
| Calculated formula | C31 H28 N2 O3 |
| Title of publication | One-Pot Tandem Assembly of Amides, Amines, and Ketones: Synthesis of C4-Quaternary 3,4- and 1,4-Dihydroquinazolines. |
| Authors of publication | Campbell, Molly V.; Iretskii, Alexei V.; Mosey, R. Adam |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 17.7454 ± 0.0002 Å |
| b | 13.7235 ± 0.0002 Å |
| c | 21.0126 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5117.18 ± 0.12 Å3 |
| Cell temperature | 173 ± 1 K |
| Ambient diffraction temperature | 173 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0472 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.0907 |
| Weighted residual factors for all reflections included in the refinement | 0.0955 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255557 (current) | 2020-08-22 | cif/ Adding structures of 4038706 via cif-deposit CGI script. |
4038706.cif |
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Users of the data should acknowledge the original authors of the
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