Information card for entry 2210748

Structure parameters

• Chemical name: (2E,2'E)-4,6-Dichloro-1,3-phenylene bis(3-phenylacrylate)
• Formula: C24 H16 Cl2 O4
• Calculated formula: C24 H16 Cl2 O4
• SMILES: Clc1cc(Cl)c(OC(=O)/C=C/c2ccccc2)cc1OC(=O)/C=C/c1ccccc1
• Title of publication: (2<i>E</i>,2'<i>E</i>)-4,6-Dichloro-1,3-phenylene bis(3-phenylacrylate)
• Authors of publication: Wang, Xiao-Bing; Ling-Yi Kong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4558 - o4559
• a: 10.829 ± 0.002 Å
• b: 10.549 ± 0.003 Å
• c: 18.368 ± 0.004 Å
• α: 90°
• β: 95.122 ± 0.004°
• γ: 90°
• Cell volume: 2089.9 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes