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Information card for entry 4132146
Preview
| Coordinates | 4132146.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H27 N3 |
|---|---|
| Calculated formula | C15 H27 N3 |
| SMILES | C12CCCCN1C1CCCCN1C1CCCCN21 |
| Title of publication | Dynamic Covalent Metathesis in the C═C/C═N Exchange between Knoevenagel Compounds and Imines. |
| Authors of publication | Gu, Ruirui; Flidrova, Karolina; Lehn, Jean-Marie |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 16 |
| Pages of publication | 5560 - 5568 |
| a | 9.2706 ± 0.0003 Å |
| b | 17.6938 ± 0.0007 Å |
| c | 9.5355 ± 0.0003 Å |
| α | 90° |
| β | 115.51 ± 0.002° |
| γ | 90° |
| Cell volume | 1411.64 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0845 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1352 |
| Weighted residual factors for all reflections included in the refinement | 0.1458 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242187 (current) | 2019-11-26 | cif/ Adding structures of 4132146 via cif-deposit CGI script. |
4132146.cif |
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