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Information card for entry 1555194
Preview
| Coordinates | 1555194.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H19 N3 O |
|---|---|
| Calculated formula | C25 H19 N3 O |
| SMILES | O=C1N(c2c3ncccc3ccc2)/C(=N/c2c(cccc2C)C)c2c1cccc2 |
| Title of publication | Copper-Catalyzed Formal [4 + 1] Cycloaddition of Benzamides and Isonitriles via Directed C-H Cleavage. |
| Authors of publication | Takamatsu, Kazutaka; Hirano, Koji; Miura, Masahiro |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 16 |
| Pages of publication | 4066 - 4069 |
| a | 7.2944 ± 0.0019 Å |
| b | 14.078 ± 0.004 Å |
| c | 19.047 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1955.9 ± 1 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 significantly intense reflections | 0.0765 |
| Weighted residual factors for all reflections included in the refinement | 0.1834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238381 (current) | 2019-11-24 | cif/ Adding structures of 1555194 via cif-deposit CGI script. |
1555194.cif |
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