Information card for entry 2227014

Structure parameters

• Chemical name: 2-[4-(2,6-Dimethoxyphenyl)butyl]-1,3-dimethoxybenzene
• Formula: C20 H26 O4
• Calculated formula: C20 H26 O4
• SMILES: COc1cccc(c1CCCCc1c(OC)cccc1OC)OC
• Title of publication: 2-[4-(2,6-Dimethoxyphenyl)butyl]-1,3-dimethoxybenzene
• Authors of publication: Kane, Christopher M.; Drake, Stephen D.; Holman, K. Travis
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1921
• a: 22.692 ± 0.002 Å
• b: 5.546 ± 0.0005 Å
• c: 13.7099 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1725.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes