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Information card for entry 8105878
Preview
| Coordinates | 8105878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H12 N2 |
|---|---|
| Calculated formula | C18 H12 N2 |
| SMILES | n1cccc2c1nc(c1ccc3ccccc3c1)cc2 |
| Title of publication | Crystal structure of 2-(naphthalen-2-yl)-1,8-naphthyridine, C18H12N2 |
| Authors of publication | Jia, Guo-Kai; Xiu-Wen, Chen; Jing-Kun, Lv; Chen, Xiao-Ming |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 5 |
| Pages of publication | 873 - 874 |
| a | 27.514 ± 0.005 Å |
| b | 6.3231 ± 0.0011 Å |
| c | 7.4175 ± 0.0013 Å |
| α | 90° |
| β | 95.805 ± 0.002° |
| γ | 90° |
| Cell volume | 1283.8 ± 0.4 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0561 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.1141 |
| Weighted residual factors for all reflections included in the refinement | 0.1233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278209 (current) | 2022-09-27 | cif/ Adding structures of 8105878 via cif-deposit CGI script. |
8105878.cif |
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