Information card for entry 2208641

Structure parameters

• Common name: intricatinol
• Chemical name: 2,3-dihydro-6,7-dihydroxy-3-[(4-methoxyphenyl)methylene]-4H-1-benzopyran-4-one
• Formula: C17 H14 O5
• Calculated formula: C17 H14 O5
• SMILES: O1c2c(O)c(O)ccc2C(=O)/C(=C/c2ccc(OC)cc2)C1
• Title of publication: 2,3-Dihydro-7,8-dihydroxy-3-[(4-methoxyphenyl)methylene]-4<i>H</i>-1-benzopyran-4-one
• Authors of publication: Suchada Chantrapromma; Sompong Boonsri; Hoong-Kun Fun; Shazia Anjum; Akkharawit Kanjana-opas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1254 - o1256
• a: 12.886 ± 0.003 Å
• b: 13.896 ± 0.003 Å
• c: 7.68 ± 0.002 Å
• α: 90°
• β: 95.905 ± 0.004°
• γ: 90°
• Cell volume: 1367.9 ± 0.6 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• 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
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes