Information card for entry 2215912

Structure parameters

• Common name: 4-Acetylresorcinol
• Chemical name: 1-(2,4-dihydroxyphenyl)ethanone
• Formula: C8 H8 O3
• Calculated formula: C8 H8 O3
• SMILES: CC(=O)c1c(cc(cc1)O)O
• Title of publication: 4-Acetylresorcinol
• Authors of publication: Robert, Kirgan; Moore, Curtis; Eichhorn, David; Rillema, D. Paul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4252 - o4252
• a: 7.1325 ± 0.0003 Å
• b: 13.7067 ± 0.0005 Å
• c: 7.2998 ± 0.0003 Å
• α: 90°
• β: 92.369 ± 0.002°
• γ: 90°
• Cell volume: 713.04 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0527
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes