Information card for entry 1504486

Structure parameters

• Formula: C16 H20 O
• Calculated formula: C16 H20 O
• SMILES: O[C@@]12CCCC[C@H]1CC=C[C@H]2c1ccccc1.O[C@]12CCCC[C@@H]1CC=C[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: 6.2381 ± 0.0002 Å
• b: 10.5891 ± 0.0003 Å
• c: 11.1078 ± 0.0003 Å
• α: 114.895 ± 0.0016°
• β: 103.505 ± 0.0016°
• γ: 96.4693 ± 0.0018°
• Cell volume: 628.37 ± 0.03 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No