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Information card for entry 1551794
Preview
| Coordinates | 1551794.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H31 N3 O |
|---|---|
| Calculated formula | C21 H31 N3 O |
| SMILES | N(=C\c1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C)/CCCn1cncc1 |
| Title of publication | Crystal and Molecular Structure of N-[1-(3-Aminopropyl)imidazole]-3,5-di-t-butylsalicylaldimine |
| Authors of publication | ÇELIK, Ömer; TAS, Esref; IDE, Semra; ULUSOY, Mahmut |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2009 |
| Journal volume | 25 |
| Pages of publication | 75 |
| a | 9.2609 ± 0.0008 Å |
| b | 22.665 ± 0.002 Å |
| c | 10.0975 ± 0.0008 Å |
| α | 90 ± 0.007° |
| β | 100.4 ± 0.007° |
| γ | 90 ± 0.007° |
| Cell volume | 2084.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0695 |
| Weighted residual factors for all reflections included in the refinement | 0.2389 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| 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 |
|---|---|---|---|
| 216406 (current) | 2019-06-20 | cif/ Adding structures of 1551794 via cif-deposit CGI script. |
1551794.cif |
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Users of the data should acknowledge the original authors of the
structural data.