Information card for entry 2012353

Structure parameters

• Chemical name: 4',5-dihydroxy-3,3',8-trimethoxy-7-(3-methylbut-2-enyloxy)flavone
• Formula: C23 H24 O8
• Calculated formula: C23 H24 O8
• SMILES: o1c(c(OC)c(=O)c2c(O)cc(OC\C=C(C)/C)c(OC)c12)c1ccc(O)c(OC)c1
• Title of publication: Two crystal polymorphs of a flavonoid from <i>Melicope ellyrana</i>
• Authors of publication: Smith, Graham; Bartley, John P.; Wang, Ertong; Bott, Raymond C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: 1336 - 1337
• a: 14.238 ± 0.004 Å
• b: 11.053 ± 0.005 Å
• c: 14.426 ± 0.005 Å
• α: 90°
• β: 111.979 ± 0.018°
• γ: 90°
• Cell volume: 2105.3 ± 1.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1671
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No