Information card for entry 2222453

Structure parameters

• Chemical name: (<i>E</i>)-1-(2-Thienyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• Formula: C16 H16 O4 S
• Calculated formula: C16 H16 O4 S
• SMILES: s1cccc1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1
• Title of publication: (<i>E</i>)-1-(2-Thienyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Suwunwong, Thitipone; Chantrapromma, Suchada; Pakdeevanich, Paradorn; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1575 - o1576
• a: 25.3323 ± 0.0008 Å
• b: 3.9816 ± 0.0001 Å
• c: 14.0163 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1413.73 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes