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Information card for entry 7132192
Preview
| Coordinates | 7132192.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H9 F3 O2 |
|---|---|
| Calculated formula | C18 H9 F3 O2 |
| Title of publication | Enaminone-directed ruthenium(II)-catalyzed C–H activation and annulation of arenes with diazonaphthoquinones for polycyclic benzocoumarins |
| Authors of publication | Mondal, Sudeshna; Giri, Chandan Kumar; Baidya, Mahiuddin |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 10.9295 ± 0.0009 Å |
| b | 11.7939 ± 0.0009 Å |
| c | 17.2156 ± 0.0013 Å |
| α | 103.951 ± 0.003° |
| β | 106.88 ± 0.003° |
| γ | 91.212 ± 0.003° |
| Cell volume | 2050.9 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.2058 |
| Residual factor for significantly intense reflections | 0.1169 |
| Weighted residual factors for significantly intense reflections | 0.2837 |
| Weighted residual factors for all reflections included in the refinement | 0.3493 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286851 (current) | 2023-10-10 | cif/ Adding structures of 7132192 via cif-deposit CGI script. |
7132192.cif |
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Users of the data should acknowledge the original authors of the
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