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Information card for entry 8105930
Preview
| Coordinates | 8105930.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H15 N3 |
|---|---|
| Calculated formula | C20 H15 N3 |
| SMILES | c1cccc2c1ccc(c2c1ncccn1)c1cccc(C)n1 |
| Title of publication | Crystal structure of 2-(2-(6-methylpyridin-2-yl)naphthalen-1-yl)pyrimidine, C20H15N3 |
| Authors of publication | Lou, Xin-Hua |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 5 |
| Pages of publication | 1037 - 1038 |
| a | 11.0487 ± 0.0004 Å |
| b | 13.5 ± 0.0006 Å |
| c | 21.1032 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3147.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0653 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1009 |
| Weighted residual factors for all reflections included in the refinement | 0.1136 |
| 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 |
|---|---|---|---|
| 278697 (current) | 2022-10-21 | cif/ Adding structures of 8105930 via cif-deposit CGI script. |
8105930.cif |
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