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Information card for entry 7226983
Preview
| Coordinates | 7226983.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H12 F3 N3 O2 |
|---|---|
| Calculated formula | C19 H12 F3 N3 O2 |
| SMILES | c12ccccc1nc1c3ccccc3N=C(C(c1n2)C(=O)OC)C(F)(F)F |
| Title of publication | Facile Synthesis of Quinoxaline Annulated Perfluoroalkylated Benzoazepine Derivatives |
| Authors of publication | Liu, Gang; Sun, Xuechun; Chen, Ling; Wu, Yueci; Han, Jing; Chen, Jie; Deng, Hongmei; Shao, Min; Zhang, Hui; Cao, Weiguo |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 7.828 ± 0.009 Å |
| b | 10.579 ± 0.011 Å |
| c | 20.74 ± 0.02 Å |
| α | 89.827 ± 0.014° |
| β | 81.363 ± 0.015° |
| γ | 89.786 ± 0.015° |
| Cell volume | 1698 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1904 |
| Residual factor for significantly intense reflections | 0.1206 |
| Weighted residual factors for significantly intense reflections | 0.3291 |
| Weighted residual factors for all reflections included in the refinement | 0.3577 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187721 (current) | 2016-11-01 | cif/ Adding structures of 7226983 via cif-deposit CGI script. |
7226983.cif |
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Users of the data should acknowledge the original authors of the
structural data.