Information card for entry 4504567

Structure parameters

• Common name: 246-DMT
• Chemical name: 1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-2,3,5,6-tetramethoxybenzene
• Formula: C32 H38 O10
• Calculated formula: C32 H38 O10
• SMILES: c1(c(OC)c(c(c(c1OC)OC)/C=C/c1c(cc(cc1OC)OC)OC)OC)/C=C/c1c(cc(cc1OC)OC)OC
• Title of publication: The Precarious Equilibrium between Different Types of Weak Hydrogen Bonds in Methoxy-Substituted Distyrylbenzenes: The Hybrid Network inE,E-1,4-Bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-2,3,5,6-tetramethoxybenzene
• Authors of publication: Vande Velde, Christophe M. L.; Geise, Herman J.; Blockhuys, Frank
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 241
• a: 7.309 ± 0.002 Å
• b: 15.18 ± 0.003 Å
• c: 27.115 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3008.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1403
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No