Information card for entry 2200161

Structure parameters

• Common name: Eupatorin
• Chemical name: 5,3'-dihydroxy-6,7,4'-trimethoxyflavone
• Formula: C18 H16 O7
• Calculated formula: C18 H16 O7
• SMILES: o1c(cc(=O)c2c(c(c(cc12)OC)OC)O)c1cc(c(cc1)OC)O
• Title of publication: Eupatorin
• Authors of publication: Parvez, Masood; Riaz, Muhammad; Malik, Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: o289 - o291
• a: 5.5475 ± 0.0008 Å
• b: 37.69 ± 0.005 Å
• c: 7.4742 ± 0.0006 Å
• α: 90°
• β: 96.462 ± 0.009°
• γ: 90°
• Cell volume: 1552.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes