Information card for entry 7152299

Structure parameters

• Formula: C20 H18 O5
• Calculated formula: C20 H18 O5
• SMILES: o1c(c(c(=O)c2ccccc12)CC(=O)OCC)c1ccc(OC)cc1
• Title of publication: Microwave-assisted C-3 selective oxidative radical alkylation of flavones.
• Authors of publication: Mijangos, Marco V.; González-Marrero, Joaquin; Miranda, Luis D.; Vincent-Ruz, Paulette; Lujan-Montelongo, Armando; Olivera-Díaz, Diana; Bautista, Elhiu; Ortega, Alfredo; de la Luz Campos-González, María; Gamez-Montaño, Rocio
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 15
• Pages of publication: 2946 - 2949
• a: 7.298 ± 0.0015 Å
• b: 13.566 ± 0.003 Å
• c: 17.045 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1687.5 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1069
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No