Information card for entry 2232441

Structure parameters

• Common name: 3,4',5-Triacetoxy-trans-stilbene
• Chemical name: 5-[2-(4-Acetyloxyphenyl)ethenyl]benzene-1,3-diyl diacetate
• Formula: C20 H18 O6
• Calculated formula: C20 H18 O6
• SMILES: O(c1cc(OC(=O)C)cc(c1)/C=C/c1ccc(OC(=O)C)cc1)C(=O)C
• Title of publication: 5-[2-(4-Acetyloxyphenyl)ethenyl]benzene-1,3-diyl diacetate
• Authors of publication: Tang, Lin; Dai, Dongmei; Gong, Yanqing; Zhong, Jialiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3129
• a: 31.52 ± 0.006 Å
• b: 6.1211 ± 0.0012 Å
• c: 20.11 ± 0.004 Å
• α: 90°
• β: 110.92 ± 0.03°
• γ: 90°
• Cell volume: 3624.2 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.1913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes