Information card for entry 2207188

Structure parameters

• Common name: 3,5,7-trimethoxy-flavone
• Chemical name: 3,5,7-trimethoxy-2-phenyl-4H-1-benzopyran-4-one
• Formula: C18 H16 O5
• Calculated formula: C18 H16 O5
• SMILES: o1c2c(c(OC)cc(OC)c2)c(=O)c(OC)c1c1ccccc1
• Title of publication: 3,5,7-Trimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one
• Authors of publication: Jeannie Bee-Jan Teh; Hoong-Kun Fun; Ibrahim Abdul Razak; Nawong Boonnak; Suchada Chantrapromma; Chatchanok Karalai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3653 - o3655
• a: 7.4026 ± 0.0002 Å
• b: 18.4985 ± 0.0004 Å
• c: 11.4109 ± 0.0002 Å
• α: 90°
• β: 109.466 ± 0.001°
• γ: 90°
• Cell volume: 1473.26 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0493
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No