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Information card for entry 1567550
Preview
| Coordinates | 1567550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4-(Phenylethynyl)indolin-2-one |
|---|---|
| Formula | C16 H11 N O |
| Calculated formula | C16 H11 N O |
| SMILES | O=C1Nc2c(c(C#Cc3ccccc3)ccc2)C1 |
| Title of publication | A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle |
| Authors of publication | Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| Journal volume | 13 |
| Journal issue | 37 |
| Pages of publication | 11074 - 11082 |
| a | 35.383 ± 0.002 Å |
| b | 35.383 ± 0.002 Å |
| c | 5.235 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5675.9 ± 0.6 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.073 |
| Residual factor for significantly intense reflections | 0.0644 |
| Weighted residual factors for significantly intense reflections | 0.1805 |
| Weighted residual factors for all reflections included in the refinement | 0.1862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278409 (current) | 2022-10-07 | cif/ Updating files of 1567549, 1567550, 1567551, 1567552 Original log message: Adding full bibliography for 1567549--1567552.cif. |
1567550.cif |
| 277507 | 2022-09-01 | cif/ Adding structures of 1567549, 1567550, 1567551, 1567552 via cif-deposit CGI script. |
1567550.cif |
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Users of the data should acknowledge the original authors of the
structural data.