Information card for entry 2016519

Structure parameters

• Chemical name: bis(trans-2-phenylethenylsulfonyl)methane
• Formula: C17 H16 O4 S2
• Calculated formula: C17 H16 O4 S2
• SMILES: O=S(=O)(CS(=O)(=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: 15.7551 ± 0.0006 Å
• b: 11.9609 ± 0.0005 Å
• c: 8.6212 ± 0.0003 Å
• α: 90°
• β: 103.728 ± 0.001°
• γ: 90°
• Cell volume: 1578.21 ± 0.11 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0376
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes