Information card for entry 2224609

Structure parameters

• Chemical name: 2-Methoxy-3-[(3,4,5-trimethoxyanilino)methylidene]-3,4-dihydro- 2<i>H</i>-1-benzopyran-4-one
• Formula: C20 H21 N O6
• Calculated formula: C20 H21 N O6
• SMILES: O1C(OC)C(C(=O)c2ccccc12)=CNc1cc(OC)c(OC)c(OC)c1
• Title of publication: 2-Methoxy-3-[(3,4,5-trimethoxyanilino)methylidene]-3,4-dihydro-2<i>H</i>-1-benzopyran-4-one
• Authors of publication: Małecka, Magdalena; Ciołkowski, Michał; Budzisz, Elżbieta
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o246
• a: 11.6145 ± 0.0006 Å
• b: 20.8689 ± 0.0009 Å
• c: 7.3728 ± 0.0005 Å
• α: 90°
• β: 94.533 ± 0.005°
• γ: 90°
• Cell volume: 1781.44 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0468
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes