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Information card for entry 2242748
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| Coordinates | 2242748.cif |
|---|---|
| Structure factors | 2242748.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 5,5'-(propane-2,2-diyl)bis(2-hydroxyisophthalaldehyde) |
|---|---|
| Formula | C19 H16 O6 |
| Calculated formula | C19 H16 O6 |
| SMILES | C(C)(C)(c1cc(c(c(c1)C=O)O)C=O)c1cc(c(c(c1)C=O)O)C=O |
| Title of publication | Synthesis and crystal structures of 5,5'-(propane-2,2-diyl)bis(2-hydroxybenzaldehyde) and 5,5'-(propane-2,2-diyl)bis(2-hydroxyisophthalaldehyde) |
| Authors of publication | Sausa, Rosario C.; Lastovickova, Dominika N.; La Scala, John J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 12 |
| Pages of publication | 1872 - 1877 |
| a | 13.4327 ± 0.0004 Å |
| b | 7.992 ± 0.0003 Å |
| c | 15.2062 ± 0.0005 Å |
| α | 90° |
| β | 90.348 ± 0.003° |
| γ | 90° |
| Cell volume | 1632.42 ± 0.09 Å3 |
| Cell temperature | 297.5 ± 0.5 K |
| Ambient diffraction temperature | 297.5 ± 0.5 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 | 0.0715 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.1546 |
| Weighted residual factors for all reflections included in the refinement | 0.1669 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212134 (current) | 2018-11-23 | cif/ hkl/ Adding structures of 2242747, 2242748 via cif-deposit CGI script. |
2242748.cif 2242748.hkl |
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Users of the data should acknowledge the original authors of the
structural data.