Information card for entry 2207579

Structure parameters

• Chemical name: 4-Acetylphenyl phenyl sulfone
• Formula: C14 H12 O3 S
• Calculated formula: C14 H12 O3 S
• SMILES: S(=O)(=O)(c1ccc(C(=O)C)cc1)c1ccccc1
• Title of publication: 4-Acetylphenyl phenyl sulfone
• Authors of publication: Guo, Shengrong; Yuan, Yanqin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4032 - o4033
• a: 21.3 ± 0.008 Å
• b: 7.756 ± 0.003 Å
• c: 15.227 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2515.5 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes