Information card for entry 2201193

Structure parameters

• Chemical name: 4,4'bis[2,2bis(4-methoxyphenyl)ethenyl]biphenyl
• Formula: C44 H38 O4
• Calculated formula: C44 H38 O4
• SMILES: COc1ccc(cc1)C(=Cc1ccc(cc1)c1ccc(cc1)C=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC
• Title of publication: 4,4'-Bis[2,2-bis(4-methoxyphenyl)ethenyl]biphenyl
• Authors of publication: Vande Velde, Christophe M. L.; Hoefnagels, Roel; Geise, Herman J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o454 - o455
• a: 7.748 ± 0.002 Å
• b: 8.792 ± 0.003 Å
• c: 12.41 ± 0.005 Å
• α: 92.51 ± 0.03°
• β: 90.13 ± 0.03°
• γ: 96.91 ± 0.03°
• Cell volume: 838.4 ± 0.5 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: 0.0598
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes