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Information card for entry 1556146
Preview
| Coordinates | 1556146.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H26 N4 O3 |
|---|---|
| Calculated formula | C17 H26 N4 O3 |
| Title of publication | Hünlich base: (re)discovery, synthesis, and structure elucidation after a century. |
| Authors of publication | Rigol, Stephan; Beyer, Lothar; Hennig, Lothar; Sieler, Joachim; Giannis, Athanassios |
| Journal of publication | Organic letters |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 6 |
| Pages of publication | 1418 - 1420 |
| a | 14.754 ± 0.003 Å |
| b | 22.06 ± 0.004 Å |
| c | 5.146 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1674.9 ± 0.6 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 37 |
| Hermann-Mauguin space group symbol | C c c 2 |
| Hall space group symbol | C 2 -2c |
| Residual factor for all reflections | 0.0829 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.1061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.831 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243503 (current) | 2019-11-26 | cif/ Adding structures of 1556146 via cif-deposit CGI script. |
1556146.cif |
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Users of the data should acknowledge the original authors of the
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