Information card for entry 7059813

Structure parameters

• Chemical name: 4-hydroxy-1,4-bis(4-methoxyphenyl)butan-1-one
• Formula: C18 H20 O4
• Calculated formula: C18 H20 O4
• SMILES: O=C(c1ccc(OC)cc1)CC[C@H](O)c1ccc(OC)cc1
• Title of publication: Preparation of aromatic γ-hydroxyketones by means of Heck coupling of aryl halides and 2,3-dihydrofuran, catalyzed by a palladium(ii) glycine complex under microwave irradiation
• Authors of publication: Jiménez-Cruz, Juan C.; Guzmán-Mejía, Ramón; Juaristi, Eusebio; Sánchez-Antonio, Omar; García-Revilla, Marco A.; González-Campos, J. Betzabe; Aviña-Verduzco, Judit
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 31
• Pages of publication: 13382 - 13392
• a: 11.1124 ± 0.0005 Å
• b: 5.2113 ± 0.0002 Å
• c: 13.3792 ± 0.0006 Å
• α: 90°
• β: 93.648 ± 0.002°
• γ: 90°
• Cell volume: 773.22 ± 0.06 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No