Information card for entry 1504484

Structure parameters

• Formula: C17 H22 O3
• Calculated formula: C17 H22 O3
• SMILES: O(C(=O)C)[C@H]1[C@@](O)(CCCC1)[C@H](c1ccccc1)C=C.O(C(=O)C)[C@@H]1[C@](O)(CCCC1)[C@@H](c1ccccc1)C=C
• Title of publication: Highly diastereoselective addition of cinnamylzinc derivatives to alpha-chiral carbonyl compounds.
• Authors of publication: Dunet, Guillaume; Mayer, Peter; Knochel, Paul
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 117 - 120
• a: 7.5516 ± 0.0002 Å
• b: 11.5133 ± 0.0003 Å
• c: 17.1622 ± 0.0005 Å
• α: 90°
• β: 98.1398 ± 0.0015°
• γ: 90°
• Cell volume: 1477.11 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No