Information card for entry 4505442

Structure parameters

• Common name: 246iprOMT
• Chemical name: 1,4-bis[2-(246-trimethoxyphenyl)ethenyl]-2,5-diisopropoxybenzene
• Formula: C34 H42 O8
• Calculated formula: C34 H42 O8
• SMILES: c1(OC(C)C)c(cc(c(c1)/C=C/c1c(cc(cc1OC)OC)OC)OC(C)C)/C=C/c1c(cc(cc1OC)OC)OC
• 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: 7.572 ± 0.005 Å
• b: 9.033 ± 0.005 Å
• c: 11.729 ± 0.005 Å
• α: 101.57 ± 0.005°
• β: 98.29 ± 0.005°
• γ: 91.04 ± 0.005°
• Cell volume: 776.8 ± 0.7 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: 0.1731
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No