Information card for entry 2229420

Structure parameters

• Common name: 3,5,3'-Trihydroxy-4'-methoxy-7-(3-methylbut-2-enyloxy)flavone
• Chemical name: 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(3-methylbut-2-en-1- yl)oxy]chromen-4-one
• Formula: C21 H20 O7
• Calculated formula: C21 H20 O7
• SMILES: C(C=C(C)C)Oc1cc2c(c(c1)O)c(=O)c(c(o2)c1cc(c(cc1)OC)O)O
• Title of publication: 3,5,3'-Trihydroxy-4'-methoxy-7-(3-methylbut-2-enyloxy)flavone
• Authors of publication: Zhu, Sheng-Hua; Liu, Shao-Qian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o661
• a: 8.4073 ± 0.0018 Å
• b: 9.0343 ± 0.0019 Å
• c: 12.489 ± 0.003 Å
• α: 79.371 ± 0.002°
• β: 83.519 ± 0.003°
• γ: 78.806 ± 0.003°
• Cell volume: 911.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes