Information card for entry 2016518

Structure parameters

• Chemical name: bis(trans-2-phenylethenyl) sulfone
• Formula: C16 H14 O2 S
• Calculated formula: C16 H14 O2 S
• SMILES: O=S(=O)(/C=C/c1ccccc1)/C=C/c1ccccc1
• Title of publication: Vinyl sulfones
• Authors of publication: Wong, Jessica H.; Olmstead, Marilyn M.; Fettinger, James C.; Gervay-Hague, Jacquelyn
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o132 - o136
• a: 10.1632 ± 0.0007 Å
• b: 23.6753 ± 0.0016 Å
• c: 34.339 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8262.5 ± 0.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes