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Information card for entry 8105990
Preview
| Coordinates | 8105990.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H12 N2 |
|---|---|
| Calculated formula | C15 H12 N2 |
| SMILES | n1c(c2ccccc2)c(cc2c1nccc2)C |
| Title of publication | Crystal structure of 3-methyl-2-phenyl-1,8-naphthyridine, C15H12N2 |
| Authors of publication | Wen, Yuan; Xiao, Xin-Sheng; Jia, Guo-Kai |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 6 |
| Pages of publication | 1231 - 1232 |
| a | 7.323 ± 0.004 Å |
| b | 6.975 ± 0.003 Å |
| c | 22.411 ± 0.011 Å |
| α | 90° |
| β | 93.195 ± 0.005° |
| γ | 90° |
| Cell volume | 1142.9 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0554 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1234 |
| Weighted residual factors for all reflections included in the refinement | 0.1324 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279068 (current) | 2022-11-08 | cif/ Adding structures of 8105990 via cif-deposit CGI script. |
8105990.cif |
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