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Information card for entry 8105556
Preview
| Coordinates | 8105556.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H10 Br N |
|---|---|
| Calculated formula | C15 H10 Br N |
| SMILES | Brc1ccc(c2ccc3ccccc3c2)nc1 |
| Title of publication | Crystal structure of 5-bromo-2-(naphthalen-6-yl)pyridine, C15H10BrN |
| Authors of publication | Li, Hong-Mei; Wang, Hao-Feng; Sun, Bei-Jing; Lou, Xin-Hua |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 234 |
| Journal issue | 1 |
| Pages of publication | 103 - 104 |
| a | 14.6929 ± 0.0009 Å |
| b | 5.9337 ± 0.0004 Å |
| c | 14.6256 ± 0.0011 Å |
| α | 90° |
| β | 113.521 ± 0.008° |
| γ | 90° |
| Cell volume | 1169.16 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0522 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.1009 |
| Weighted residual factors for all reflections included in the refinement | 0.1103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276382 (current) | 2022-06-29 | cif/ Adding structures of 8105556 via cif-deposit CGI script. |
8105556.cif |
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Users of the data should acknowledge the original authors of the
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