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Information card for entry 4034184
Preview
| Coordinates | 4034184.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H14 O |
|---|---|
| Calculated formula | C19 H14 O |
| SMILES | o1c2c3ccccc3ccc2c(c1)Cc1ccccc1 |
| Title of publication | Palladium(II)-Catalyzed Cascade Reactions of Ene-Ynes Tethered to Cyano/Aldehyde: Access to Naphtho[1,2-<i>b</i>]furans and Benzo[<i>g</i>]indoles. |
| Authors of publication | Jash, Moumita; De, Sukanya; Pramanik, Subhendu; Chowdhury, Chinmay |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| Journal volume | 84 |
| Journal issue | 14 |
| Pages of publication | 8959 - 8975 |
| a | 6.1363 ± 0.0017 Å |
| b | 10.652 ± 0.003 Å |
| c | 20.542 ± 0.006 Å |
| α | 90° |
| β | 90.161 ± 0.003° |
| γ | 90° |
| Cell volume | 1342.7 ± 0.7 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 3 |
| 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 | 0.0463 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.1003 |
| Weighted residual factors for all reflections included in the refinement | 0.109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 222726 (current) | 2019-11-04 | cif/ Adding structures of 4034184 via cif-deposit CGI script. |
4034184.cif |
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Users of the data should acknowledge the original authors of the
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