Information card for entry 8107290

Structure parameters

• Chemical name: 3,5,6,7-tetramethoxy-3',4'-methylenedioxy-flavone
• Formula: C20 H18 O8
• Calculated formula: C20 H18 O8
• SMILES: O1COc2c1cc(C1Oc3cc(OC)c(OC)c(OC)c3C(=O)C=1OC)cc2
• Title of publication: Crystal structure of 3,5,6,7-tetramethoxy-3′,4′-methylenedioxy-flavone, C20H18O8
• Authors of publication: Gu, Ming; Li, Ji-Xin; Ye, Jiang-Hai; Zou, Juan; Liu, Ya-Hua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1049 - 1050
• a: 7.3855 ± 0.0002 Å
• b: 28.1424 ± 0.0009 Å
• c: 8.5863 ± 0.0003 Å
• α: 90°
• β: 98.404 ± 0.001°
• γ: 90°
• Cell volume: 1765.46 ± 0.1 ų
• Cell temperature: 273 ± 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: 0.0805
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No