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Information card for entry 1557318
Preview
| Coordinates | 1557318.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-Amino-3-cyano-5-(3,3-dicyanopropyl)-6-cyclopropyl-4-ethylpyridine |
|---|---|
| Formula | C16 H17 N5 |
| Calculated formula | C16 N5 |
| SMILES | n1c(N)c(c(c(c1C1CC1)CCC(C#N)C#N)CC)C#N |
| Title of publication | Dimerization of Cyclopropanecarbonitrile Mediated by Grignard Reagents. Formation of Highly Substituted Pyridines |
| Authors of publication | Kolsaker, Per; Songe, Pal; Romming, Christian |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1997 |
| Journal volume | 51 |
| Pages of publication | 1104 - 1111 |
| a | 8.118 ± 0.001 Å |
| b | 9.89 ± 0.002 Å |
| c | 10.266 ± 0.002 Å |
| α | 98.31 ± 0.01° |
| β | 99.77 ± 0.01° |
| γ | 109.24 ± 0.02° |
| Cell volume | 748.9 ± 0.3 Å3 |
| Ambient diffraction temperature | 138 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for all reflections included in the refinement | 0.135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| 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 |
|---|---|---|---|
| 248154 (current) | 2020-02-14 | cif/ Adding structures of 1557318 via cif-deposit CGI script. |
1557318.cif |
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