Information card for entry 2015512

Structure parameters

• Common name: 5,3'-dihydroxy-3,6,7,4',5'-pentamethoxyflavone
• Chemical name: 5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,6,7-trimethoxy-4H-chromene-4-one
• Formula: C20 H20 O9
• Calculated formula: C20 H20 O9
• SMILES: c1(=O)c2c(c(c(cc2oc(c1OC)c1cc(c(c(c1)O)OC)OC)OC)OC)O
• Title of publication: Chains of edge-fused hydrogen-bonded <i>R</i>~3~^3^(22) rings in 5,3'-dihydroxy-3,6,7,4',5'-pentamethoxyflavone
• Authors of publication: G. Y. S. K. Swamy; K. Ravikumar; B. Sridhar; I. Mahender; K. V. N. S. Srinivas
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o495 - o497
• a: 7.5629 ± 0.0005 Å
• b: 15.2199 ± 0.0009 Å
• c: 17.6543 ± 0.0011 Å
• α: 69.621 ± 0.001°
• β: 83.145 ± 0.001°
• γ: 77.76 ± 0.001°
• Cell volume: 1859.3 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.069
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes