Information card for entry 2228954

Structure parameters

• Chemical name: 5-Hydroxy-8,8-dimethyl-10-(2-methylbut-3-en-2-yl)-2<i>H</i>,6<i>H</i>-7,8-dihydropyrano[3,2-<i>g</i>]chromene-2,6-dione
• Formula: C19 H20 O5
• Calculated formula: C19 H20 O5
• SMILES: o1c2c(ccc1=O)c(O)c1C(=O)CC(Oc1c2C(C=C)(C)C)(C)C
• Title of publication: 5-Hydroxy-8,8-dimethyl-10-(2-methylbut-3-en-2-yl)-2<i>H</i>,6<i>H</i>-7,8-dihydropyrano[3,2-<i>g</i>]chromene-2,6-dione
• Authors of publication: Fun, Hoong-Kun; Sripisut, Tawanun; Laphookhieo, Surat; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o422 - o423
• a: 10.2239 ± 0.0002 Å
• b: 11.309 ± 0.0003 Å
• c: 13.8764 ± 0.0003 Å
• α: 90°
• β: 93.108 ± 0.001°
• γ: 90°
• Cell volume: 1602.06 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0607
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.288
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes