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Information card for entry 4034685
Preview
| Coordinates | 4034685.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H22 N2 O3 |
|---|---|
| Calculated formula | C23 H22 N2 O3 |
| SMILES | c1ccccc1CN1C(=O)CC(=C\C2(C(=O)N(c3c(cccc23)C)C)C)/C1=O |
| Title of publication | Ru(II)- or Rh(III)-Catalyzed Difunctionalization of Alkenes by Tandem Cyclization of N-Aryl Acrylamides with Alkenes. |
| Authors of publication | Manoharan, Ramasamy; Logeswaran, Ravichandran; Jeganmohan, Masilamani |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| a | 8.9275 ± 0.0005 Å |
| b | 10.3757 ± 0.0007 Å |
| c | 21.3167 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1974.5 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0719 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.0837 |
| Weighted residual factors for all reflections included in the refinement | 0.0975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223432 (current) | 2019-11-07 | cif/ Adding structures of 4034685 via cif-deposit CGI script. |
4034685.cif |
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