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Information card for entry 7248674
Preview
| Coordinates | 7248674.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H15 N3 O |
|---|---|
| Calculated formula | C18 H15 N3 O |
| SMILES | C(#N)C1(C#N)Cc2c(cccc2)Oc2c(cccc2)N(C1)C |
| Title of publication | C(sp3)–H cyclizations of 2-(2-vinyl)phenoxy-tert-anilines |
| Authors of publication | Dunkel, Petra; Bogdán, Dóra; Deme, Ruth; Zimber, Ádám; Ballayová, Veronika; Csizmadia, Eszter; Kontra, Bence; Kalydi, Eszter; Bényei, Attila; Mátyus, Péter; Mucsi, Zoltán |
| Journal of publication | RSC Advances |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 24 |
| Pages of publication | 16784 - 16800 |
| a | 8.745 ± 0.001 Å |
| b | 9.836 ± 0.001 Å |
| c | 17.535 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1508.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0694 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for all reflections included in the refinement | 0.1396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292013 (current) | 2024-05-24 | cif/ Adding structures of 7248673, 7248674 via cif-deposit CGI script. |
7248674.cif |
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Users of the data should acknowledge the original authors of the
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