Information card for entry 2020284

Structure parameters

• Chemical name: 1-(4-Hexyloxy-3-hydroxyphenyl)ethanone
• Formula: C14 H20 O3
• Calculated formula: C14 H20 O3
• Title of publication: Crystallographic identification of an unexpected by-product in an Ullman's reaction toward biphenyls: 1-(4-hexyloxy-3-hydroxyphenyl)ethanone
• Authors of publication: Manzano, Veronica E.; Baggio, Ricardo; Cukiernik, Fabio D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• a: 19.3847 ± 0.001 Å
• b: 9.0716 ± 0.0004 Å
• c: 30.3953 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5345 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes