Information card for entry 2201351

Structure parameters

• Chemical name: (E)-3,4',5-trimethoxystilbene
• Formula: C17 H18 O3
• Calculated formula: C17 H18 O3
• SMILES: O(c1cc(OC)cc(c1)/C=C/c1ccc(OC)cc1)C
• Title of publication: (<i>E</i>)-3,5,4'-Trimethoxystilbene
• Authors of publication: Yin, Qiang; Shi, Yun-Mei; Liu, Hui-Min; Li, Chun-Bao; Zhang, Wen-Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o1180 - o1181
• a: 9.958 ± 0.004 Å
• b: 10.048 ± 0.004 Å
• c: 16.205 ± 0.006 Å
• α: 90.695 ± 0.008°
• β: 105.545 ± 0.007°
• γ: 111.835 ± 0.007°
• Cell volume: 1438.7 ± 1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1407
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes