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Information card for entry 4034755
Preview
| Coordinates | 4034755.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H40 O13 |
|---|---|
| Calculated formula | C34 H40 O13 |
| 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 | 24.0009 ± 0.0011 Å |
| b | 8.5212 ± 0.0004 Å |
| c | 31.56 ± 0.002 Å |
| α | 90° |
| β | 93.151 ± 0.002° |
| γ | 90° |
| Cell volume | 6444.8 ± 0.6 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.1295 |
| Residual factor for significantly intense reflections | 0.0811 |
| Weighted residual factors for significantly intense reflections | 0.2113 |
| Weighted residual factors for all reflections included in the refinement | 0.2532 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| 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 |
|---|---|---|---|
| 226278 (current) | 2019-11-11 | cif/ Adding structures of 4034755 via cif-deposit CGI script. |
4034755.cif |
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Users of the data should acknowledge the original authors of the
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