Information card for entry 2231096

Structure parameters

• Chemical name: 3,3'',4,4''-Tetramethoxy-1,1':4',1''-terphenyl
• Formula: C22 H22 O4
• Calculated formula: C22 H22 O4
• SMILES: COc1cc(ccc1OC)c1ccc(cc1)c1ccc(c(c1)OC)OC
• Title of publication: 3,3'',4,4''-Tetramethoxy-1,1':4',1''-terphenyl
• Authors of publication: Kung Pui, Law; Hung, Wong Woei; M. Yamin, Bohari; Kassim, Mohammad B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1892
• a: 13.217 ± 0.003 Å
• b: 8.808 ± 0.002 Å
• c: 8.058 ± 0.002 Å
• α: 90°
• β: 105.476 ± 0.004°
• γ: 90°
• Cell volume: 904.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1595
• 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: Yes