Information card for entry 2208011

Structure parameters

• Chemical name: 10-(4-Methoxyphenyl)-3,7-dimethyl-1H,9H,10H-dipyrano[3,4-e:4',3'-b]pyran- 1,9-dione
• Formula: C20 H16 O6
• Calculated formula: C20 H16 O6
• SMILES: O1c2cc(oc(=O)c2C(c2c(=O)oc(cc12)C)c1ccc(OC)cc1)C
• Title of publication: 10-(4-Methoxyphenyl)-3,7-dimethyl-1<i>H</i>,9<i>H</i>,10<i>H</i>-dipyrano[3,4-<i>e</i>:4',3'-<i>b</i>]pyran-1,9-dione
• Authors of publication: Yuan Gao; Yan Zhang; Shujiang Tu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o601 - o602
• a: 9.7018 ± 0.0018 Å
• b: 11.09 ± 0.002 Å
• c: 15.757 ± 0.003 Å
• α: 90°
• β: 96.839 ± 0.003°
• γ: 90°
• Cell volume: 1683.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• 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
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No