Information card for entry 2200638

Structure parameters

• Common name: Pachypodol
• Chemical name: 4,5'-dihydroxy-3,3',7-trimethoxyflavone
• Formula: C18 H16 O7
• Calculated formula: C18 H16 O7
• SMILES: o1c(c(OC)c(=O)c2c(O)cc(OC)cc12)c1ccc(O)c(OC)c1
• Title of publication: Pachypodol (4,5'-dihydroxy-3,3',7-trimethoxyflavone)
• Authors of publication: Graham Smith; Ertong Wang; John P. Bartley; Raymond C. Bott
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: o973 - o975
• a: 9.399 ± 0.006 Å
• b: 11.836 ± 0.009 Å
• c: 8.041 ± 0.003 Å
• α: 97.64 ± 0.05°
• β: 111.08 ± 0.03°
• γ: 71.83 ± 0.07°
• Cell volume: 792.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.131
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes