Information card for entry 2242747

Structure parameters

• Chemical name: 5,5'-(Propane-2,2-diyl)bis(2-hydroxybenzaldehyde)
• Formula: C17 H16 O4
• Calculated formula: C17 H16 O4
• SMILES: O=Cc1c(O)ccc(C(C)(C)c2ccc(O)c(c2)C=O)c1
• 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: 16.6108 ± 0.0006 Å
• b: 12.0803 ± 0.0006 Å
• c: 7.0946 ± 0.0004 Å
• α: 90°
• β: 90.396 ± 0.004°
• γ: 90°
• Cell volume: 1423.59 ± 0.12 ų
• Cell temperature: 298 ± 0.1 K
• Ambient diffraction temperature: 298 ± 0.1 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: 0.0651
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes