Information card for entry 7108399

Structure parameters

• Formula: C19 H24 Cl N O3
• Calculated formula: C19 H24 Cl N O3
• SMILES: ClCCN1C(=O)[C@@](c2ccccc2)(CC21CC2)C(=O)OC(C)(C)C
• Title of publication: Palladium-catalyzed asymmetric synthesis of 2-pyrrolidinones with a quaternary carbon stereocenter
• Authors of publication: Ryo Shintani; Tomoaki Ito; Midori Nagamoto; Haruka Otomo; Tamio Hayashi
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9936
• a: 8.71555 ± 0.00018 Å
• b: 8.71796 ± 0.00019 Å
• c: 12.4456 ± 0.0003 Å
• α: 90°
• β: 104.988 ± 0.0014°
• γ: 90°
• Cell volume: 913.47 ± 0.04 ų
• Cell temperature: 93.1 K
• Ambient diffraction temperature: 93 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No