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Information card for entry 2311547
Preview
| Coordinates | 2311547.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C20 H14 O6 |
|---|---|
| Calculated formula | C20 H14 O6 |
| SMILES | c1(ccccc1)OC(=O)Oc1cc(ccc1)OC(=O)Oc1ccccc1 |
| Title of publication | Crystal structure of a di-aryl carbonate: 1,3-phenyl-ene bis-(phenyl carbonate). |
| Authors of publication | Solomos, Marina A.; Bertke, Jeffery A.; Swift, Jennifer A. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | Pt 12 |
| Pages of publication | 1942 - 1945 |
| a | 12.9597 ± 0.0012 Å |
| b | 31.548 ± 0.003 Å |
| c | 3.8219 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1562.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0476 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0891 |
| Weighted residual factors for all reflections included in the refinement | 0.0925 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245972 (current) | 2019-12-25 | cif/ Adding structures of 2311547 via cif-deposit CGI script. |
2311547.cif |
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Users of the data should acknowledge the original authors of the
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