Information card for entry 2000166

Structure parameters

• Formula: C20 H20 O4
• Calculated formula: C20 H20 O4
• SMILES: COc1cccc(c1C#CC(=C)c1c(OC)cccc1OC)OC
• Title of publication: 1,3-Bis(2,6-dimethoxyphenyl)butenyne
• Authors of publication: Evans, K. L.; Fronczek, F. R.; Gandour, R. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 2729 - 2731
• a: 7.887 ± 0.0007 Å
• b: 7.815 ± 0.0009 Å
• c: 27.478 ± 0.004 Å
• α: 90°
• β: 91.229 ± 0.01°
• γ: 90°
• Cell volume: 1693.3 ± 0.3 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No