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Information card for entry 4035884
Preview
| Coordinates | 4035884.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H8 Br N O2 |
|---|---|
| Calculated formula | C14 H8 Br N O2 |
| SMILES | Brc1nc(/C=C/2Oc3ccccc3C2=O)ccc1 |
| Title of publication | Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones. |
| Authors of publication | Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| Journal volume | 84 |
| Journal issue | 1 |
| Pages of publication | 326 - 337 |
| a | 8.0534 ± 0.0004 Å |
| b | 19.6802 ± 0.001 Å |
| c | 7.3808 ± 0.0004 Å |
| α | 90° |
| β | 98.57 ± 0.003° |
| γ | 90° |
| Cell volume | 1156.74 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0335 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0667 |
| Weighted residual factors for all reflections included in the refinement | 0.0696 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227291 (current) | 2019-11-11 | cif/ Adding structures of 4035883, 4035884, 4035885, 4035886, 4035887, 4035888, 4035889, 4035890 via cif-deposit CGI script. |
4035884.cif |
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Users of the data should acknowledge the original authors of the
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