Information card for entry 2207747

Structure parameters

• Chemical name: 1,3-Bis(4-methoxyphenyl)-2-benzothiophene
• Formula: C22 H18 O2 S
• Calculated formula: C22 H18 O2 S
• SMILES: s1c(c2ccccc2c1c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: 1,3-Bis(4-methoxyphenyl)-2-benzothiophene
• Authors of publication: K. Palani; P. Amaladass; A. K. Mohanakrishnan; M. N. Ponnuswamy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o49 - o51
• a: 7.508 ± 0.006 Å
• b: 16.493 ± 0.009 Å
• c: 27.952 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3461 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.2351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes