Information card for entry 2227565

Structure parameters

• Chemical name: (<i>E</i>)-2-(3,4-Dimethoxybenzylidene)-5,6-dimethoxy-2,3-dihydro-1<i>H</i>-\ inden-1-one
• Formula: C20 H20 O5
• Calculated formula: C20 H20 O5
• SMILES: O(c1cc2C/C(=C\c3cc(OC)c(OC)cc3)C(=O)c2cc1OC)C
• Title of publication: (<i>E</i>)-2-(3,4-Dimethoxybenzylidene)-5,6-dimethoxy-2,3-dihydro-1<i>H</i>-inden-1-one
• Authors of publication: Ali, Mohamed Ashraf; Ismail, Rusli; Tan, Soo Choon; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2875
• a: 7.7991 ± 0.0007 Å
• b: 7.2595 ± 0.0006 Å
• c: 29.589 ± 0.002 Å
• α: 90°
• β: 101.977 ± 0.003°
• γ: 90°
• Cell volume: 1638.8 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0551
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes