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Information card for entry 1556382
Preview
| Coordinates | 1556382.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H16 N2 O2 |
|---|---|
| Calculated formula | C14 H16 N2 O2 |
| SMILES | O=C1C(=C(c2ccncc2)N)C(=O)CC(C)(C1)C |
| Title of publication | Porous silica nanoparticles with mesoscopic void spaces for the domino intermolecular aerobic oxidative synthesis of novel β,β′-diketoenamines |
| Authors of publication | Ray, Suman; Bhaumik, Asim; Dutta, Arghya; Mukhopadhyay, Chhanda |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 5 |
| Pages of publication | 1267 |
| a | 5.8113 ± 0.0002 Å |
| b | 23.7797 ± 0.0008 Å |
| c | 9.2207 ± 0.0003 Å |
| α | 90° |
| β | 95.959 ± 0.002° |
| γ | 90° |
| Cell volume | 1267.33 ± 0.07 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 | 0.0509 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1251 |
| Weighted residual factors for all reflections included in the refinement | 0.1396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.646 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244412 (current) | 2019-11-28 | cif/ Adding structures of 1556382 via cif-deposit CGI script. |
1556382.cif |
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Users of the data should acknowledge the original authors of the
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