Information card for entry 2215375

Structure parameters

• Chemical name: 1-[(E)-4-Benzenesulfonyl-3-methyl-but-2-enyl]-2,3,4,5- tetramethoxy-6-methylbenzene
• Formula: C22 H28 O6 S
• Calculated formula: C22 H28 O6 S
• SMILES: S(=O)(=O)(C/C(=C/Cc1c(OC)c(OC)c(OC)c(OC)c1C)C)c1ccccc1
• Title of publication: 1-[(<i>E</i>)-4-Benzenesulfonyl-3-methyl-but-2-enyl]-2,3,4,5-tetramethoxy-6-methylbenzene
• Authors of publication: Li, Quan; Yan, Sheng-Jiao; Lin, Xin-Rong; Zhang, Cong-Hai; Lin, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3998
• a: 9.8351 ± 0.0006 Å
• b: 20.5513 ± 0.0014 Å
• c: 10.9955 ± 0.0007 Å
• α: 90°
• β: 102.841 ± 0.001°
• γ: 90°
• Cell volume: 2166.9 ± 0.2 ų
• Cell temperature: 184 ± 2 K
• Ambient diffraction temperature: 184 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes