Information card for entry 8105474

Structure parameters

• Formula: C16 H12 O3
• Calculated formula: C16 H12 O3
• Title of publication: Crystal structure of 1-(6-hydroxy-2-phenylbenzofuran-5-yl)ethan-1-one, C16H12O3
• Authors of publication: Olomola, Temitope O.; Maluleka, Marole M.; Mphahlele, Malose J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 6
• Pages of publication: 1389 - 1391
• a: 10.7095 ± 0.0003 Å
• b: 8.1455 ± 0.0002 Å
• c: 27.5374 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2402.2 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No