Information card for entry 2007225

Structure parameters

• Chemical name: Crystal structures of three diphenylsulphones
• Formula: C15 H16 O2 S
• Calculated formula: C15 H16 O2 S
• SMILES: S(=O)(=O)(c1c(cccc1C)C)c1ccc(cc1)C
• Title of publication: Three Diphenyl Sulfones
• Authors of publication: Jeyakanthan, Jeyaraman; Velmurugan, D.; Panneerselvam, K.; Soriano-Garcia, Manuel; Perumal, S.; Chandrasekaran, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 630 - 633
• a: 20.339 ± 0.007 Å
• b: 11.024 ± 0.004 Å
• c: 15.22 ± 0.007 Å
• α: 90°
• β: 126.8 ± 0.02°
• γ: 90°
• Cell volume: 2733 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.133
• Weighted residual factors for significantly intense reflections: 0.1246
• Goodness-of-fit parameter for all reflections: 0.921
• Goodness-of-fit parameter for significantly intense reflections: 0.924
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No