Information card for entry 8102233

Structure parameters

• Chemical name: trans-3,4,5-trimethoxy-4'-hydroxystilbene
• Formula: C17 H18 O4
• Calculated formula: C17 H18 O4
• SMILES: Oc1ccc(cc1)/C=C/c1cc(OC)c(OC)c(OC)c1
• Title of publication: Crystal structure of (E)-1-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)-ethene, C17H18O4, a trans-stilbene
• Authors of publication: Jian Guo; Baolin Li; Wei Wang; Yitian Lai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 2
• Pages of publication: 127
• a: 5.3692 ± 0.0004 Å
• b: 13.1524 ± 0.0011 Å
• c: 22.0043 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1553.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No