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Information card for entry 7226890
Preview
| Coordinates | 7226890.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H12 Cl N |
|---|---|
| Calculated formula | C19 H12 Cl N |
| SMILES | Clc1ccc2nc3c(c(c2c1)c1ccccc1)cccc3 |
| 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 | 7.5233 ± 0.0011 Å |
| b | 9.2661 ± 0.0015 Å |
| c | 11.5013 ± 0.0015 Å |
| α | 109.068 ± 0.014° |
| β | 96.475 ± 0.012° |
| γ | 105.036 ± 0.013° |
| Cell volume | 714.5 ± 0.2 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2208 |
| Residual factor for significantly intense reflections | 0.0807 |
| Weighted residual factors for significantly intense reflections | 0.1897 |
| Weighted residual factors for all reflections included in the refinement | 0.2825 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| 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. |
7226890.cif |
| 187543 | 2016-10-25 | cif/ Adding structures of 7226889, 7226890, 7226891, 7226892 via cif-deposit CGI script. |
7226890.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.