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Information card for entry 1553072
Preview
| Coordinates | 1553072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H23 N O2 |
|---|---|
| Calculated formula | C22 H23 N O2 |
| SMILES | N1(C(=O)c2c(/C1=C/c1ccc(OC)cc1)cccc2)C1CCCCC1 |
| Title of publication | Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds |
| Authors of publication | Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2015 |
| Journal volume | 2 |
| Journal issue | 4 |
| Pages of publication | 312 |
| a | 9.1264 ± 0.0005 Å |
| b | 9.7169 ± 0.0006 Å |
| c | 10.2731 ± 0.0007 Å |
| α | 95.504 ± 0.004° |
| β | 91.157 ± 0.004° |
| γ | 101.221 ± 0.004° |
| Cell volume | 888.78 ± 0.1 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 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 | 0.0822 |
| Residual factor for significantly intense reflections | 0.0587 |
| Weighted residual factors for significantly intense reflections | 0.1776 |
| Weighted residual factors for all reflections included in the refinement | 0.217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1553072.cif |
| 233021 | 2019-11-23 | cif/ Adding structures of 1553068, 1553069, 1553070, 1553071, 1553072, 1553073, 1553074 via cif-deposit CGI script. |
1553072.cif |
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Users of the data should acknowledge the original authors of the
structural data.