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Information card for entry 4032811
Preview
| Coordinates | 4032811.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H23 N O2 |
|---|---|
| Calculated formula | C27 H23 N O2 |
| SMILES | O=C(Nc1ccccc1O)c1c(c2ccc(cc2)C)cccc1c1ccc(cc1)C |
| Title of publication | Multicomponent Synthesis of Diverse o-Arylated Benzamides via o-Aminophenol (OAP) Directed C(sp(2))-H Arylation. |
| Authors of publication | Liu, Yunyun; Zhang, Yi; Wan, Jie-Ping |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2017 |
| Journal volume | 82 |
| Journal issue | 17 |
| Pages of publication | 8950 - 8957 |
| a | 10.181 ± 0.002 Å |
| b | 11.283 ± 0.002 Å |
| c | 18.953 ± 0.004 Å |
| α | 90° |
| β | 99.67 ± 0.03° |
| γ | 90° |
| Cell volume | 2146.2 ± 0.8 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.073 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1331 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200459 (current) | 2017-09-11 | cif/ Adding structures of 4032811 via cif-deposit CGI script. |
4032811.cif |
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Users of the data should acknowledge the original authors of the
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