Information card for entry 2201342

Structure parameters

• Chemical name: 4'-Hydroxyacetophenone
• Formula: C8 H8 O2
• Calculated formula: C8 H8 O2
• SMILES: O=C(c1ccc(O)cc1)C
• Title of publication: A redetermination of 4'-hydroxyacetophenone
• Authors of publication: Kresge, A. Jerry; Lough, Alan J.; Zhu, Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o1057 - o1059
• a: 6.1886 ± 0.0004 Å
• b: 9.071 ± 0.0006 Å
• c: 24.5261 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1376.82 ± 0.15 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0388
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes