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Information card for entry 1549882
Preview
| Coordinates | 1549882.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H18 N2 O2 |
|---|---|
| Calculated formula | C19 H18 N2 O2 |
| SMILES | O=C(Nc1cccc2cccnc12)CCCc1ccc(O)cc1 |
| Title of publication | Palladium(ii)-catalyzed γ-selective hydroarylation of alkenyl carbonyl compounds with arylboronic acids. |
| Authors of publication | Matsuura, Rei; Jankins, Tanner C.; Hill, David E.; Yang, Kin S.; Gallego, Gary M.; Yang, Shouliang; He, Mingying; Wang, Fen; Marsters, Rohan P.; McAlpine, Indrawan; Engle, Keary M. |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 44 |
| Pages of publication | 8363 - 8368 |
| a | 11.2477 ± 0.0004 Å |
| b | 15.3784 ± 0.0005 Å |
| c | 9.6298 ± 0.0003 Å |
| α | 90° |
| β | 114.204 ± 0.001° |
| γ | 90° |
| Cell volume | 1519.25 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.0368 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0906 |
| Weighted residual factors for all reflections included in the refinement | 0.0925 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228656 (current) | 2019-11-17 | cif/ Updating files of 1549882 Original log message: Adding full bibliography for 1549882.cif. |
1549882.cif |
| 210504 | 2018-09-07 | cif/ Adding structures of 1549882 via cif-deposit CGI script. |
1549882.cif |
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Users of the data should acknowledge the original authors of the
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