Information card for entry 2230481

Structure parameters

• Chemical name: 4-(4-Hydroxyphenyl)butan-2-one
• Formula: C10 H12 O2
• Calculated formula: C10 H12 O2
• SMILES: c1(ccc(cc1)CCC(=O)C)O
• Title of publication: 4-(4-Hydroxyphenyl)butan-2-one
• Authors of publication: Wang, Jian-Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1411
• a: 14.0242 ± 0.0013 Å
• b: 12.445 ± 0.0012 Å
• c: 5.2706 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 919.88 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes