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Information card for entry 7128172
Preview
| Coordinates | 7128172.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | ethyl 10-phenylacenaphtho[1,2-c]pyridine-7-carboxylate |
|---|---|
| Formula | C24 H17 N O2 |
| Calculated formula | C24 H17 N O2 |
| SMILES | O(C(=O)c1ncc(c2c1c1c3c2cccc3ccc1)c1ccccc1)CC |
| Title of publication | Transition metal-free approach to azafluoranthene scaffolds by aldol condensation/[1+2+3] annulation tandem reaction of isocyanoacetates with 8-(alkynyl)-1-naphthaldehydes. |
| Authors of publication | Dong, Penghui; Majeed, Kashif; Wang, Lingna; Guo, Zijian; Zhou, Fengtao; Zhang, Qiuyu |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 39 |
| Pages of publication | 4855 - 4858 |
| a | 11.9988 ± 0.0003 Å |
| b | 19.1984 ± 0.0005 Å |
| c | 7.6672 ± 0.0002 Å |
| α | 90° |
| β | 106.467 ± 0.002° |
| γ | 90° |
| Cell volume | 1693.76 ± 0.08 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0586 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.1056 |
| Weighted residual factors for all reflections included in the refinement | 0.1241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
7128172.cif |
| 265879 | 2021-06-05 | cif/ Updating files of 7128172 Original log message: Adding full bibliography for 7128172.cif. |
7128172.cif |
| 264216 | 2021-04-16 | cif/ Adding structures of 7128172 via cif-deposit CGI script. |
7128172.cif |
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Users of the data should acknowledge the original authors of the
structural data.