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Information card for entry 7155954
Preview
| Coordinates | 7155954.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H21 N O3 |
|---|---|
| Calculated formula | C27 H21 N O3 |
| SMILES | O=C(OC)[C@@]1(/C(=C\c2ccccc2)c2c([C@H]1CC(=O)c1ccccc1)cccc2)C#N.O=C(OC)[C@]1(/C(=C\c2ccccc2)c2c([C@@H]1CC(=O)c1ccccc1)cccc2)C#N |
| Title of publication | Facile access to functionalized indenes and fused quinolines by regioselective 5-enolexo-dig Michael addition and cyclization reactions |
| Authors of publication | Chaudhari, Tohasib Yusub; Ginotra, Sandeep K.; Tandon, Vibha |
| Journal of publication | Org. Biomol. Chem. |
| Year of publication | 2017 |
| a | 37.951 ± 0.003 Å |
| b | 24.115 ± 0.002 Å |
| c | 9.5003 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8694.6 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0947 |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for significantly intense reflections | 0.1385 |
| Weighted residual factors for all reflections included in the refinement | 0.1609 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202469 (current) | 2017-11-01 | cif/ Adding structures of 7155954 via cif-deposit CGI script. |
7155954.cif |
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Users of the data should acknowledge the original authors of the
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