Information card for entry 4505444

Structure parameters

• Common name: phe246OMT
• Chemical name: 1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-3,5bis(2-phenylethoxy)benzene
• Formula: C44 H46 O8
• Calculated formula: C44 H46 O8
• SMILES: c1(/C=C/c2c(cc(cc2OC)OC)OC)c(cc(c(c1)OCCc1ccccc1)/C=C/c1c(cc(cc1OC)OC)OC)OCCc1ccccc1
• 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: 6.897 ± 0.002 Å
• b: 9.628 ± 0.002 Å
• c: 14.066 ± 0.002 Å
• α: 88.79 ± 0.02°
• β: 79.84 ± 0.02°
• γ: 87.72 ± 0.02°
• Cell volume: 918.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2316
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.2659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No