Information card for entry 7113137

Structure parameters

• Formula: C19 H18 O3
• Calculated formula: C19 H18 O3
• SMILES: [C@H]1([C@@H](c2ccccc2)OC(=O)[C@H]2C[C@H]2CO1)c1ccccc1
• Title of publication: Highly enantioselective carbon-carbon bond formation by Cu-catalyzed asymmetric [2,3]-sigmatropic rearrangement: application to the syntheses of seven-membered oxacycles and six-membered carbocycles.
• Authors of publication: Kumaraswamy, Gullapalli; Sadaiah, Kadivendi; Ramakrishna, Duggirala Subrahmanya; Police, Naresh; Sridhar, Balasubramanian; Bharatam, Jagadeesh
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 42
• Pages of publication: 5324 - 5326
• a: 10.1848 ± 0.0008 Å
• b: 17.5488 ± 0.0014 Å
• c: 8.8167 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1575.8 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0343
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No