Information card for entry 2242748

Structure parameters

• 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 ų
• 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