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Information card for entry 1542396
Preview
| Coordinates | 1542396.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H16 O3 |
|---|---|
| Calculated formula | C21 H16 O3 |
| SMILES | O(Cc1ccccc1)C(=O)C(=O)c1ccc(c2ccccc2)cc1 |
| Title of publication | In Situ Generated Ag(II)-Catalyzed Selective Oxo-Esterification of Alkyne with Alcohol to α-Ketoester: Photophysical Study. |
| Authors of publication | Laha, Radha M.; Khamarui, Saikat; Manna, Saikat K.; Maiti, Dilip K. |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 1 |
| Pages of publication | 144 - 147 |
| a | 8.233 ± 0.003 Å |
| b | 5.5792 ± 0.0018 Å |
| c | 34.637 ± 0.011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1591 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0532 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1424 |
| Weighted residual factors for all reflections included in the refinement | 0.1439 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175756 (current) | 2016-02-04 | cif/ Adding structures of 1542396 via cif-deposit CGI script. |
1542396.cif |
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