Information card for entry 2000988

Structure parameters

• Formula: C15 H10 O4
• Calculated formula: C15 H10 O4
• SMILES: OC(=O)c1ccccc1C#Cc1c(O)cccc1O
• Title of publication: 2-[(2,6-Dihydroxyphenyl)ethynyl]benzoic acid
• 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: 1992
• Journal volume: 48
• Journal issue: 4
• Pages of publication: 763 - 765
• a: 12.8584 ± 0.0013 Å
• b: 5.0051 ± 0.0002 Å
• c: 19.381 ± 0.002 Å
• α: 90°
• β: 109.141 ± 0.009°
• γ: 90°
• Cell volume: 1178.36 ± 0.19 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