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Information card for entry 7223889
Preview
| Coordinates | 7223889.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H22 F N O2 |
|---|---|
| Calculated formula | C25 H22 F N O2 |
| SMILES | Fc1ccc(c2nc3c(c(CC(=O)OC(C)(C)C)c2)c2c(cc3)cccc2)cc1 |
| Title of publication | One-pot three component regioselective synthesis of C1-functionalised 3-arylbenzo[f]quinoline |
| Authors of publication | Gattu, Radhakrishna; Basha R, Sidick; Ray Bagdi, Prasanta; Khan, Abu Taleb |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 28.746 ± 0.003 Å |
| b | 10.5892 ± 0.0009 Å |
| c | 16.2384 ± 0.0015 Å |
| α | 90° |
| β | 123.742 ± 0.006° |
| γ | 90° |
| Cell volume | 4110.3 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.21 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for significantly intense reflections | 0.0845 |
| Weighted residual factors for all reflections included in the refinement | 0.1193 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 174502 (current) | 2016-01-15 | cif/ Adding structures of 7223889 via cif-deposit CGI script. |
7223889.cif |
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Users of the data should acknowledge the original authors of the
structural data.