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Information card for entry 4036679
Preview
| Coordinates | 4036679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 8 |
|---|---|
| Formula | C20 H26 Cl N3 O |
| Calculated formula | C20 H26 Cl N3 O |
| SMILES | [Cl-].O.[NH+]1=C2NCCCN2CC[C@H]1C(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis of Chiral Bicyclic Guanidinium Salts using Di(imidazole-1-yl)methanimine. |
| Authors of publication | Turočkin, Aleksej; Honeker, Roman; Raven, William; Selig, Philipp |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2016 |
| Journal volume | 81 |
| Journal issue | 11 |
| Pages of publication | 4516 - 4529 |
| a | 10.807 ± 0.002 Å |
| b | 11.284 ± 0.002 Å |
| c | 15.094 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1840.7 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0882 |
| Weighted residual factors for all reflections included in the refinement | 0.0915 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235074 (current) | 2019-11-23 | cif/ Adding structures of 4036679, 4036680, 4036681 via cif-deposit CGI script. |
4036679.cif |
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Users of the data should acknowledge the original authors of the
structural data.