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Information card for entry 4131803
Preview
| Coordinates | 4131803.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H74 N2 |
|---|---|
| Calculated formula | C54 H74 N2 |
| Title of publication | Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes. |
| Authors of publication | Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 7 |
| Pages of publication | 2546 - 2554 |
| a | 10.7485 ± 0.0003 Å |
| b | 13.164 ± 0.0004 Å |
| c | 17.4642 ± 0.0006 Å |
| α | 90° |
| β | 104.046 ± 0.002° |
| γ | 90° |
| Cell volume | 2397.18 ± 0.13 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0762 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1256 |
| Weighted residual factors for all reflections included in the refinement | 0.1429 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241951 (current) | 2019-11-25 | cif/ Adding structures of 4131803 via cif-deposit CGI script. |
4131803.cif |
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Users of the data should acknowledge the original authors of the
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