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Information card for entry 1554368
Preview
| Coordinates | 1554368.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 5,6-Diphenyl-3-(trifluoromethoxy)indazolo[2,3-a]quinoline |
|---|---|
| Chemical name | 5,6-Diphenyl-3-(trifluoromethoxy)indazolo[2,3-a]quinoline |
| Formula | C28 H17 F3 N2 O1.01 |
| Calculated formula | C28 H17 F3 N2 O |
| Title of publication | Rh-Catalyzed regioselective C‒H activation and C‒C bond formation: synthesis and photophysical studies of indazolo[2,3-a]quinolines |
| Authors of publication | Vivek Kumar, Sundaravel; Ellairaja, Sundaram; Satheesh, Vanaparthi; Sivasamy Vasantha, Vairathevar; Punniyamurthy, Tharmalingam |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 18 |
| Pages of publication | 2630 |
| a | 7.933 ± 0.0006 Å |
| b | 11.1848 ± 0.0007 Å |
| c | 13.1762 ± 0.001 Å |
| α | 72.919 ± 0.006° |
| β | 73.841 ± 0.006° |
| γ | 84.499 ± 0.005° |
| Cell volume | 1073.26 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1282 |
| Residual factor for significantly intense reflections | 0.0827 |
| Weighted residual factors for significantly intense reflections | 0.1973 |
| Weighted residual factors for all reflections included in the refinement | 0.2309 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237163 (current) | 2019-11-24 | cif/ Adding structures of 1554368 via cif-deposit CGI script. |
1554368.cif |
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Users of the data should acknowledge the original authors of the
structural data.