Information card for entry 2233705

Structure parameters

• Chemical name: 1-[2,2-bis(phenylsulfonyl)ethenyl]-4-methoxybenzene
• Formula: C21 H18 O5 S2
• Calculated formula: C21 H18 O5 S2
• SMILES: S(=O)(=O)(C(=C\c1ccc(OC)cc1)/S(=O)(=O)c1ccccc1)c1ccccc1
• Title of publication: 1-[2,2-Bis(phenylsulfonyl)ethenyl]-4-methoxybenzene
• Authors of publication: Asahara, Haruyasu; Mayer, Peter; Mayr, Herbert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o470
• a: 7.8291 ± 0.0001 Å
• b: 21.6666 ± 0.0004 Å
• c: 12.0332 ± 0.0002 Å
• α: 90°
• β: 107.845 ± 0.001°
• γ: 90°
• Cell volume: 1942.99 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes