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Information card for entry 1540599
Preview
| Coordinates | 1540599.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H17 N O3 |
|---|---|
| Calculated formula | C23 H17 N O3 |
| SMILES | c1(ccccc1)C(=O)Nc1c2c(ccc1)c(c(c1ccccc1)oc2=O)C |
| Title of publication | Ruthenium(II) Catalyzed Regiospecific C-H/O-H Annulations of Directing Arenes via Weak Coordination. |
| Authors of publication | Banerjee, Arghya; Santra, Sourav Kumar; Mohanta, Prakash Ranjan; Patel, Bhisma K. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 22 |
| Pages of publication | 5678 - 5681 |
| a | 7.2793 ± 0.0007 Å |
| b | 12.9826 ± 0.0013 Å |
| c | 18.8537 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1781.8 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0674 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.0816 |
| Weighted residual factors for all reflections included in the refinement | 0.0893 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170748 (current) | 2015-12-06 | cif/ Adding structures of 1540599 via cif-deposit CGI script. |
1540599.cif |
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Users of the data should acknowledge the original authors of the
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