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Information card for entry 4036681
Preview
| Coordinates | 4036681.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 38 |
|---|---|
| Formula | C13 H27 Cl3 N3 |
| Calculated formula | C13 H27 Cl3 N3 |
| 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 | 15.5961 ± 0.0009 Å |
| b | 15.5961 ± 0.0009 Å |
| c | 14.7319 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3583.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0328 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0751 |
| Weighted residual factors for all reflections included in the refinement | 0.0776 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| 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. |
4036681.cif |
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Users of the data should acknowledge the original authors of the
structural data.