Information card for entry 2000235

Structure parameters

• Formula: C13 H12 O3
• Calculated formula: C13 H12 O3
• SMILES: COc1ccc2c(c1)cc(cc2)C(=O)OC
• Title of publication: Methyl 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: 1991
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 2226 - 2227
• a: 3.9886 ± 0.0002 Å
• b: 11.7995 ± 0.0009 Å
• c: 22.789 ± 0.003 Å
• α: 90°
• β: 92.748 ± 0.006°
• γ: 90°
• Cell volume: 1071.3 ± 0.17 ų
• Number of distinct elements: 3
• 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