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Information card for entry 1555402
Preview
| Coordinates | 1555402.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H15 Cl O |
|---|---|
| Calculated formula | C22 H15 Cl O |
| SMILES | c1cccc2C(=O)C(=C\c3ccc(cc3)Cl)\C(c12)c1ccccc1 |
| Title of publication | Palladium-Catalyzed Intermolecular Carbene Insertion Prior to Intramolecular Heck Cyclization: Synthesis of 2-Arylidene-3-aryl-1-indanones. |
| Authors of publication | Arunprasath, Dhanarajan; Muthupandi, Pandi; Sekar, Govindasamy |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 21 |
| Pages of publication | 5448 - 5451 |
| a | 6.5461 ± 0.0002 Å |
| b | 8.998 ± 0.0004 Å |
| c | 14.2101 ± 0.0005 Å |
| α | 92.224 ± 0.002° |
| β | 101.253 ± 0.0019° |
| γ | 92.809 ± 0.002° |
| Cell volume | 818.92 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0448 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0863 |
| Weighted residual factors for all reflections included in the refinement | 0.0924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| 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. |
1555402.cif |
| 238616 | 2019-11-24 | cif/ Adding structures of 1555402 via cif-deposit CGI script. |
1555402.cif |
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Users of the data should acknowledge the original authors of the
structural data.