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Information card for entry 1573002
Preview
| Coordinates | 1573002.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H20 Cl F3 N5 Ni O3 P S |
|---|---|
| Calculated formula | C26 H20 Cl F3 N5 Ni O3 P S |
| SMILES | [Ni]12(Cl)[P](Nc3cccc([n]23)c2cn(n[n]12)c1ccccc1)(c1ccccc1)c1ccccc1.[O-]S(=O)(=O)C(F)(F)F |
| Title of publication | Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation |
| Authors of publication | Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S. |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 20 |
| Pages of publication | 5959 - 5969 |
| a | 42.93 ± 0.003 Å |
| b | 42.93 ± 0.003 Å |
| c | 16.9889 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 27116 ± 4 Å3 |
| Cell temperature | 293.15 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 9 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1178 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.1314 |
| Weighted residual factors for all reflections included in the refinement | 0.1636 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299663 (current) | 2025-05-14 | cif/1: Fixing some Z values and formulae |
1573002.cif |
| 295734 | 2024-11-04 | cif/ Adding structures of 1572997, 1572998, 1572999, 1573000, 1573001, 1573002 via cif-deposit CGI script. |
1573002.cif |
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Users of the data should acknowledge the original authors of the
structural data.