Information card for entry 2000924

Structure parameters

• Formula: C23 H20 O5
• Calculated formula: C23 H20 O5
• SMILES: COc1ccc2c(c1C#Cc1c(OC)cccc1OC)cc(cc2)C(=O)OC
• Title of publication: Methyl 8-[(2,6-dimethoxyphenyl)ethynyl]-7-methoxy-2-naphthoate
• Authors of publication: Prince, P.; Evans, K. L.; Fronczek, F. R.; Gandour, R. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 936 - 938
• a: 7.0784 ± 0.0008 Å
• b: 12.1106 ± 0.0008 Å
• c: 22.721 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1947.7 ± 0.3 ų
• Number of distinct elements: 3
• 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