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Information card for entry 4127442
Preview
| Coordinates | 4127442.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H65 N3 O |
|---|---|
| Calculated formula | C47 H65 N3 O |
| Title of publication | Organic Redox Systems Based on Pyridinium-Carbene Hybrids. |
| Authors of publication | Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 24 |
| Pages of publication | 9701 - 9711 |
| a | 27.636 ± 0.008 Å |
| b | 9.669 ± 0.003 Å |
| c | 15.648 ± 0.006 Å |
| α | 90° |
| β | 91.294 ± 0.013° |
| γ | 90° |
| Cell volume | 4180 ± 2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0715 |
| Residual factor for significantly intense reflections | 0.0682 |
| Weighted residual factors for significantly intense reflections | 0.1856 |
| Weighted residual factors for all reflections included in the refinement | 0.1886 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220715 (current) | 2019-11-02 | cif/ Adding structures of 4127442 via cif-deposit CGI script. |
4127442.cif |
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Users of the data should acknowledge the original authors of the
structural data.