Information card for entry 2000989

Structure parameters

• Formula: C15 H10 O4
• Calculated formula: C15 H10 O4
• SMILES: Oc1cccc(c1c1cc2ccccc2c(=O)o1)O
• Title of publication: 3-(2,6-Dihydroxyphenyl)-1<i>H</i>-2-benzopyran-1-one
• 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: 765 - 767
• a: 5.9476 ± 0.0004 Å
• b: 8.1253 ± 0.001 Å
• c: 12.0198 ± 0.0012 Å
• α: 90°
• β: 100.938 ± 0.007°
• γ: 90°
• Cell volume: 570.32 ± 0.1 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21 1
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No