Information card for entry 2000165

Structure parameters

• Formula: C18 H16 O4
• Calculated formula: C18 H16 O4
• SMILES: COC(=O)c1ccccc1C#Cc1c(OC)cccc1OC
• Title of publication: Methyl 2-[(2,6-dimethoxyphenyl)ethynyl]benzoate
• Authors of publication: Huang, E. T.; 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: 2727 - 2729
• a: 7.6025 ± 0.001 Å
• b: 13.948 ± 0.002 Å
• c: 14.428 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1529.9 ± 0.4 ų
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No