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Information card for entry 4034684
Preview
| Coordinates | 4034684.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H20 N2 O3 |
|---|---|
| Calculated formula | C22 H20 N2 O3 |
| SMILES | c1cc(ccc1N1C(=O)C(=C\C2(c3ccccc3N(C2=O)C)C)\CC1=O)C |
| 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 | 12.6714 ± 0.0004 Å |
| b | 6.1189 ± 0.0002 Å |
| c | 24.3445 ± 0.0008 Å |
| α | 90° |
| β | 98.6402 ± 0.0013° |
| γ | 90° |
| Cell volume | 1866.13 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0537 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.0976 |
| Weighted residual factors for all reflections included in the refinement | 0.1084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223431 (current) | 2019-11-07 | cif/ Adding structures of 4034684 via cif-deposit CGI script. |
4034684.cif |
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