Information card for entry 2239220

Structure parameters

• Chemical name: (<i>Z</i>)-5-(3,4,5-Trimethoxystyryl)-2,3-dihydrothieno[3,4-<i>b</i>][1,4]dioxine
• Formula: C17 H18 O5 S
• Calculated formula: C17 H18 O5 S
• SMILES: COc1cc(/C=C\c2scc3c2OCCO3)cc(c1OC)OC
• Title of publication: (<i>Z</i>)-5-(3,4,5-Trimethoxystyryl)-2,3-dihydrothieno[3,4-<i>b</i>][1,4]dioxine
• Authors of publication: Liu, Yu-Tao; Chu, Gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o384
• a: 8.197 ± 0.002 Å
• b: 8.4527 ± 0.0015 Å
• c: 11.835 ± 0.003 Å
• α: 88.774 ± 0.001°
• β: 85.484 ± 0.003°
• γ: 76.422 ± 0.002°
• Cell volume: 794.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes