Information card for entry 2224190

Structure parameters

• Common name: Benzhydryl Phenyl Sulfone
• Chemical name: Benzhydryl phenyl sulfone
• Formula: C19 H16 O2 S
• Calculated formula: C19 H16 O2 S
• SMILES: S(=O)(=O)(C(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Benzhydryl phenyl sulfone
• Authors of publication: Baidya, Mahiuddin; Mayr, Herbert; Mayer, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3224
• a: 16.325 ± 0.0004 Å
• b: 5.7979 ± 0.0001 Å
• c: 16.4983 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1561.58 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes