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Information card for entry 4034756
Preview
| Coordinates | 4034756.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H11 N O6 |
|---|---|
| Calculated formula | C22 H11 N O6 |
| Title of publication | Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids. |
| Authors of publication | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 24 |
| Pages of publication | 15426 - 15437 |
| a | 15.7405 ± 0.0003 Å |
| b | 15.7405 ± 0.0003 Å |
| c | 11.9054 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2554.53 ± 0.09 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 173 |
| Hermann-Mauguin space group symbol | P 63 |
| Hall space group symbol | P 6c |
| Residual factor for all reflections | 0.1035 |
| Residual factor for significantly intense reflections | 0.0968 |
| Weighted residual factors for significantly intense reflections | 0.2556 |
| Weighted residual factors for all reflections included in the refinement | 0.2804 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.252 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226279 (current) | 2019-11-11 | cif/ Adding structures of 4034756 via cif-deposit CGI script. |
4034756.cif |
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Users of the data should acknowledge the original authors of the
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