Information card for entry 2020390

Structure parameters

• Common name: Nobiletin
• Chemical name: 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4<i>H</i>-chromen-4-one
• Formula: C21 H22 O8
• Calculated formula: C21 H22 O8
• SMILES: O=c1cc(oc2c(c(c(OC)c(OC)c12)OC)OC)c1cc(OC)c(OC)cc1
• Title of publication: Nobiletin: a citrus flavonoid displaying potent physiological activity
• Authors of publication: Noguchi, Shuji; Atsumi, Haruka; Iwao, Yasunori; Kan, Toshiyuki; Itai, Shigeru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 124 - 127
• a: 19.3239 ± 0.0017 Å
• b: 22.921 ± 0.002 Å
• c: 4.1385 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1833 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1854
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.294
• Diffraction radiation wavelength: 0.70041 Å
• Diffraction radiation type: Synchrotron(SPring-8BL02B1)
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes