Information card for entry 4113086

Structure parameters

• Formula: C21 H26 O4
• Calculated formula: C21 H26 O4
• SMILES: O=C[C@@]1([C@H](CC=C2c3ccc(OC)cc3CC[C@@H]12)CCC(=O)OC)C
• Title of publication: Application of Chiral Cationic Catalysts to Several Classical Syntheses of Racemic Natural Products Transforms Them into Highly Enantioselective Pathways
• Authors of publication: Qi-Ying Hu; Gang Zhou; E. J. Corey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 13708 - 13713
• a: 6.2223 ± 0.0013 Å
• b: 11.473 ± 0.003 Å
• c: 24.811 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1771.2 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0607
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No