Information card for entry 2230160

Structure parameters

• Chemical name: 4,4'-Bis[2-(3,5-dimethoxyphenyl)ethenyl]biphenyl
• Formula: C32 H30 O4
• Calculated formula: C32 H30 O4
• SMILES: COc1cc(/C=C/c2ccc(cc2)c2ccc(cc2)/C=C/c2cc(OC)cc(c2)OC)cc(c1)OC
• Title of publication: 4,4'-Bis[2-(3,5-dimethoxyphenyl)ethenyl]biphenyl
• Authors of publication: Collas, Alain; Zeller, Matthias; Blockhuys, Frank
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1112 - o1113
• a: 11.8208 ± 0.0013 Å
• b: 27.896 ± 0.003 Å
• c: 22.875 ± 0.003 Å
• α: 90°
• β: 99.723 ± 0.002°
• γ: 90°
• Cell volume: 7434.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0843
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes