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Information card for entry 8106308
Preview
| Coordinates | 8106308.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-(3,4-dimethylphenyl)-1,8-naphthyridine |
|---|---|
| Formula | C16 H14 N2 |
| Calculated formula | C16 H14 N2 |
| SMILES | n1c(c2cc(c(C)cc2)C)ccc2c1nccc2 |
| Title of publication | Crystal structure of 2-(3,4-dimethylphenyl)-1,8-naphthyridine, C16H14N2 |
| Authors of publication | Jia, Guo-Kai; Chen, Xiao-Ming; He, Fu-Lin; Chen, Xiu-Wen; Wang, Zong-Cheng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 5 |
| Pages of publication | 819 - 820 |
| a | 6.449 ± 0.008 Å |
| b | 10.548 ± 0.014 Å |
| c | 17.84 ± 0.02 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1214 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.058 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.0857 |
| Weighted residual factors for all reflections included in the refinement | 0.0933 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279648 (current) | 2022-11-30 | cif/ Adding structures of 8106308 via cif-deposit CGI script. |
8106308.cif |
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Users of the data should acknowledge the original authors of the
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