Information card for entry 2242958

Structure parameters

• 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 ų
• 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