Information card for entry 1518698

Structure parameters

• Formula: C22 H26 O3
• Calculated formula: C22 H26 O3
• SMILES: O=C(C)C[C@@H]([C@@H](C(=O)[C@@H](OCc1ccccc1)C)C)c1ccccc1
• Title of publication: Substrate-Controlled Michael Additions of Chiral Ketones to Enones.
• Authors of publication: Fàbregas, Mireia; Gómez-Palomino, Alejandro; Pellicena, Miquel; Reina, Daniel F.; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 6220
• a: 5.7161 ± 0.0003 Å
• b: 13.5777 ± 0.0006 Å
• c: 24.259 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1882.78 ± 0.16 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: 0.0333
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No