Information card for entry 4505441

Structure parameters

• Common name: E,E-1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene
• Chemical name: E,E-1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene
• Formula: C30 H34 O8
• Calculated formula: C30 H34 O8
• SMILES: O(c1cc(OC)cc(c1/C=C/c1cc(c(/C=C/c2c(OC)cc(OC)cc2OC)cc1OC)OC)OC)C
• Title of publication: The Influence of the Side Chain Length on −OCH3−π Interactions Determining the Crystal Packing of Four Substituted 1,4-Bis(α-styryl)benzenes
• Authors of publication: Vande Velde, Christophe M. L.; Chen, Li-Juan; Baeke, Jan K.; Moens, Maarten; Dieltiens, Pieter; Geise, Herman J.; Zeller, Matthias; Hunter, Allen D.; Blockhuys, Frank
• Journal of publication: Crystal Growth & Design
• Year of publication: 2004
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 823
• a: 8.0838 ± 0.0009 Å
• b: 8.9765 ± 0.001 Å
• c: 9.9412 ± 0.0011 Å
• α: 101.214 ± 0.002°
• β: 105.716 ± 0.002°
• γ: 93.07 ± 0.002°
• Cell volume: 676.83 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0693
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No