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Information card for entry 8105871
Preview
| Coordinates | 8105871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H27 N3 O |
|---|---|
| Calculated formula | C22 H27 N3 O |
| Title of publication | Crystal structure of 2-((1H-benzo[d]imidazol-2-ylimino)methyl)-4,6-di-tert-butylphenol, C22H27N3O |
| Authors of publication | Xing, Ai-Ping; Zeng, Dai; Zhang, Shu-Ling; Wei, Jun-Jun; Guo, Da-Feng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 5 |
| Pages of publication | 851 - 853 |
| a | 18.4984 ± 0.0004 Å |
| b | 11.4221 ± 0.0003 Å |
| c | 9.796 ± 0.00019 Å |
| α | 90° |
| β | 90.9652 ± 0.0019° |
| γ | 90° |
| Cell volume | 2069.51 ± 0.08 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 | 0.0747 |
| Residual factor for significantly intense reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.1637 |
| Weighted residual factors for all reflections included in the refinement | 0.1773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278181 (current) | 2022-09-26 | cif/ Adding structures of 8105871 via cif-deposit CGI script. |
8105871.cif |
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Users of the data should acknowledge the original authors of the
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