Information card for entry 4028012

Structure parameters

• Formula: C29 H25 O8 P
• Calculated formula: C29 H25 O8 P
• SMILES: P(=O)(OC1=C([C@H](CCC1)[C@@H]1OC(=O)C=C1)C(=O)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.P(=O)(OC1=C([C@@H](CCC1)[C@H]1OC(=O)C=C1)C(=O)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
• Title of publication: Catalytic Enantioselective Vinylogous Mukaiyama-Michael Addition of 2-Silyloxyfurans to Cyclic Unsaturated Oxo Esters
• Authors of publication: Xavier Jusseau; Pascal Retailleau; Laurent Chabaud; Catherine Guillou
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 2289 - 2300
• a: 12.725 ± 0.005 Å
• b: 8.406 ± 0.004 Å
• c: 23.918 ± 0.006 Å
• α: 90°
• β: 95.128 ± 0.005°
• γ: 90°
• Cell volume: 2548.2 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1182
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No