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Information card for entry 1553071
Preview
| Coordinates | 1553071.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H16 O |
|---|---|
| Calculated formula | C23 H16 O |
| SMILES | c1ccccc1C#Cc1ccc2c(c1)COC\2=C/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 | 11.008 ± 0.003 Å |
| b | 7.5883 ± 0.0019 Å |
| c | 19.571 ± 0.005 Å |
| α | 90° |
| β | 90.988 ± 0.01° |
| γ | 90° |
| Cell volume | 1634.6 ± 0.7 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1856 |
| Residual factor for significantly intense reflections | 0.0704 |
| Weighted residual factors for significantly intense reflections | 0.1292 |
| Weighted residual factors for all reflections included in the refinement | 0.172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
| Diffraction radiation probe | x-ray |
| 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. |
1553071.cif |
| 233021 | 2019-11-23 | cif/ Adding structures of 1553068, 1553069, 1553070, 1553071, 1553072, 1553073, 1553074 via cif-deposit CGI script. |
1553071.cif |
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Users of the data should acknowledge the original authors of the
structural data.