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Information card for entry 2242958
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| Coordinates | 2242958.cif |
|---|---|
| Structure factors | 2242958.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4,4'-{[(1,4-Phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde) |
|---|---|
| Formula | C24 H22 O6 |
| Calculated formula | C24 H22 O6 |
| SMILES | O(c1c(OCc2ccc(COc3ccc(C=O)cc3OC)cc2)ccc(C=O)c1)C |
| Title of publication | Crystal structures and Hirshfeld surface analyses of 4,4'-{[1,3-phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde) and 4,4'-{[(1,4-phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde) |
| Authors of publication | Iqbal, Saleem; Viswanathan, Vijayan; Velmurugan, Devadasan; Abiraman, Tamilselvan; Balasubramanian, Sengottuvelan; Gunasekaran, Krishnasamy |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 6 |
| Pages of publication | 875 - 879 |
| a | 12.6668 ± 0.0005 Å |
| b | 7.747 ± 0.0003 Å |
| c | 10.4244 ± 0.0004 Å |
| α | 90° |
| β | 102.126 ± 0.002° |
| γ | 90° |
| Cell volume | 1000.12 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0792 |
| Residual factor for significantly intense reflections | 0.0567 |
| Weighted residual factors for significantly intense reflections | 0.1778 |
| Weighted residual factors for all reflections included in the refinement | 0.1896 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215530 (current) | 2019-05-25 | cif/ hkl/ Adding structures of 2242957, 2242958 via cif-deposit CGI script. |
2242958.cif 2242958.hkl |
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Users of the data should acknowledge the original authors of the
structural data.