Information card for entry 7119181

Structure parameters

• Formula: C21 H20 O4
• Calculated formula: C21 H20 O4
• SMILES: O=C(c1ccc(c2ccccc2)cc1)C[C@H](C(=O)OCC)C(=C)C=O
• Title of publication: Enantioselective intermolecular cross Rauhut-Currier reactions of activated alkenes with acrolein
• Authors of publication: Wei Zhou; Peng Chen; Mengna Tao; Xiao Su; Qingjie Zhao; Junliang Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7612
• a: 5.9638 ± 0.0001 Å
• b: 7.4011 ± 0.0001 Å
• c: 40.7678 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1799.44 ± 0.04 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293.15 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: 0.0452
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No