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Information card for entry 1555481
Preview
| Coordinates | 1555481.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H24 N2 O2 |
|---|---|
| Calculated formula | C24 H24 N2 O2 |
| SMILES | O(c1ccc(C)cc1)C1(C(=O)N(C)c2ccccc12)c1ccccc1N(C)C |
| Title of publication | Three-Component Coupling Involving Arynes, Aromatic Tertiary Amines, and Aldehydes via Aryl-Aryl Amino Group Migration. |
| Authors of publication | Bhojgude, Sachin Suresh; Baviskar, Dnyaneshwar R.; Gonnade, Rajesh G.; Biju, Akkattu T. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 24 |
| Pages of publication | 6270 - 6273 |
| a | 9.0073 ± 0.0002 Å |
| b | 29.18 ± 0.0007 Å |
| c | 7.8919 ± 0.0002 Å |
| α | 90° |
| β | 104.587 ± 0.001° |
| γ | 90° |
| Cell volume | 2007.39 ± 0.08 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0677 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.1243 |
| Weighted residual factors for all reflections included in the refinement | 0.1293 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| 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. |
1555481.cif |
| 238764 | 2019-11-24 | cif/ Adding structures of 1555481 via cif-deposit CGI script. |
1555481.cif |
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Users of the data should acknowledge the original authors of the
structural data.