Information card for entry 1504488

Structure parameters

• Formula: C16 H24 O2
• Calculated formula: C16 H24 O2
• SMILES: O[C@]1([C@H](CCCC1)C)[C@H]([C@@H](O)C)c1ccccc1.O[C@@]1([C@@H](CCCC1)C)[C@@H]([C@H](O)C)c1ccccc1
• 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: 19.0785 ± 0.0003 Å
• b: 19.0785 ± 0.0003 Å
• c: 8.4534 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3076.95 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1971
• Weighted residual factors for all reflections included in the refinement: 0.2057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No