Information card for entry 2205191

Structure parameters

• Chemical name: 2-hydroxy-1-phenylethanone
• Formula: C8 H8 O2
• Calculated formula: C8 H8 O2
• SMILES: O=C(CO)c1ccccc1
• Title of publication: 2-Hydroxy-1-phenylethanone
• Authors of publication: Pengying Zhao; Qiyun Shao; Weiyi Zhou; Jie Li; Chunbao Li
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o328 - o329
• a: 4.8223 ± 0.0015 Å
• b: 5.4732 ± 0.0016 Å
• c: 25.484 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 672.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No