Information card for entry 4102124

Structure parameters

• Common name: Camphanic Acid Ester ent-16
• Formula: C23 H32 O6
• Calculated formula: C23 H32 O6
• SMILES: O=C(OC)[C@]12[C@H](OC(=O)[C@]34OC(=O)[C@](CC3)(C4(C)C)C)CC[C@@H]2CC(=C(C1)C)C
• Title of publication: Asymmetric Diels-Alder Reactions of Unsaturated β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes
• Authors of publication: Christoph Schotes; Antonio Mezzetti
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 3652 - 3653
• a: 12.2734 ± 0.0015 Å
• b: 7.0211 ± 0.0009 Å
• c: 13.0651 ± 0.0017 Å
• α: 90°
• β: 108.615 ± 0.003°
• γ: 90°
• Cell volume: 1067 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No