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Information card for entry 7123596
Preview
| Coordinates | 7123596.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Debenzolyation |
|---|---|
| Formula | C17 H11 N |
| Calculated formula | C17 H11 N |
| Title of publication | FeCl3 promoted ring size dictating diversity-oriented synthesis (DOS) of N-heterocycles using in situ generated cyclic imines and enamines |
| Authors of publication | Dhandabani, Ganesh Kumar; Mutra, Mohana Reddy; Wang, Jeh-Jeng |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 4.5356 ± 0.0004 Å |
| b | 17.134 ± 0.0014 Å |
| c | 17.5416 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1363.2 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0781 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1307 |
| Weighted residual factors for all reflections included in the refinement | 0.1496 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7123596.cif |
| 215691 | 2019-06-05 | cif/ Adding structures of 7123595, 7123596, 7123597, 7123598 via cif-deposit CGI script. |
7123596.cif |
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Users of the data should acknowledge the original authors of the
structural data.