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Information card for entry 4036474
Preview
| Coordinates | 4036474.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H11 N |
|---|---|
| Calculated formula | C17 H11 N |
| Title of publication | Palladium-Catalyzed Nucleophilic Substitution/C-H Activation/Aromatization Cascade Reaction: One Approach To Construct 6-Unsubstituted Phenanthridines. |
| Authors of publication | Han, Wenyong; Zhou, Xiaojian; Yang, Siyi; Xiang, Guangyan; Cui, Baodong; Chen, Yongzheng |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2015 |
| Journal volume | 80 |
| Journal issue | 22 |
| Pages of publication | 11580 - 11587 |
| a | 7.1014 ± 0.0008 Å |
| b | 4.5936 ± 0.0005 Å |
| c | 17.649 ± 0.002 Å |
| α | 90° |
| β | 98.661 ± 0.003° |
| γ | 90° |
| Cell volume | 569.16 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0506 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.1043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234742 (current) | 2019-11-23 | cif/ Adding structures of 4036474 via cif-deposit CGI script. |
4036474.cif |
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Users of the data should acknowledge the original authors of the
structural data.