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Information card for entry 4034759
Preview
| Coordinates | 4034759.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H50 O15 |
|---|---|
| Calculated formula | C38 H50 O15 |
| 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 | 11.6237 ± 0.0009 Å |
| b | 13.3004 ± 0.001 Å |
| c | 13.6633 ± 0.001 Å |
| α | 62.625 ± 0.003° |
| β | 81.097 ± 0.004° |
| γ | 82.543 ± 0.004° |
| Cell volume | 1849.1 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1066 |
| Residual factor for significantly intense reflections | 0.0671 |
| Weighted residual factors for significantly intense reflections | 0.1431 |
| Weighted residual factors for all reflections included in the refinement | 0.1629 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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 |
|---|---|---|---|
| 226282 (current) | 2019-11-11 | cif/ Adding structures of 4034759 via cif-deposit CGI script. |
4034759.cif |
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Users of the data should acknowledge the original authors of the
structural data.