Information card for entry 2000718

Structure parameters

• Formula: C27 H22 O5
• Calculated formula: C27 H22 O5
• SMILES: COc1ccc2c(c1)c(C#Cc1c(OC)ccc3c1cc(cc3)C(=O)OC)c(cc2)OC
• Title of publication: Methyl 8-[(2,7-dimethoxynaphthyl)ethynyl]-7-methoxy-2-naphthoate
• Authors of publication: Prince, P.; Fronczek, F. R.; Gandour, R. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 1538 - 1540
• a: 13.703 ± 0.002 Å
• b: 9.122 ± 0.002 Å
• c: 18.028 ± 0.002 Å
• α: 90°
• β: 107.15 ± 0.01°
• γ: 90°
• Cell volume: 2153.3 ± 0.6 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No