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Information card for entry 7226889
Preview
| Coordinates | 7226889.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H13 N |
|---|---|
| Calculated formula | C19 H13 N |
| SMILES | n1c2ccccc2c(c2ccccc12)c1ccccc1 |
| Title of publication | Metal-free annulation/aerobic oxidative dehydrogenation of cyclohexanones with o-acylanilines: efficient syntheses of acridines |
| Authors of publication | Senadi, Gopal Chandru; Dhandabani, Ganesh Kumar; Hu, Wan-Ping; Wang, Jeh-Jeng |
| Journal of publication | Green Chem. |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 23 |
| Pages of publication | 6241 |
| a | 8.4892 ± 0.0006 Å |
| b | 17.7731 ± 0.0015 Å |
| c | 9.0884 ± 0.0007 Å |
| α | 90° |
| β | 107.345 ± 0.008° |
| γ | 90° |
| Cell volume | 1308.9 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1114 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.1252 |
| Weighted residual factors for all reflections included in the refinement | 0.1479 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190224 (current) | 2017-01-09 | cif/ Updating files of 7226889, 7226890, 7226891, 7226892 Original log message: Adding full bibliography for 7226889--7226892.cif. |
7226889.cif |
| 187543 | 2016-10-25 | cif/ Adding structures of 7226889, 7226890, 7226891, 7226892 via cif-deposit CGI script. |
7226889.cif |
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Users of the data should acknowledge the original authors of the
structural data.