Information card for entry 1504487

Structure parameters

• Formula: C22 H26 O2
• Calculated formula: C22 H26 O2
• SMILES: O(Cc1ccccc1)[C@H]1CCCC[C@]21OCC[C@@H]2c1ccccc1.O(Cc1ccccc1)[C@@H]1CCCC[C@@]21OCC[C@H]2c1ccccc1
• 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: 11.129 ± 0.0003 Å
• b: 5.89 ± 0.0002 Å
• c: 27.1429 ± 0.0007 Å
• α: 90°
• β: 97.6503 ± 0.0017°
• γ: 90°
• Cell volume: 1763.38 ± 0.09 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: 0.0611
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No