Information card for entry 4106232

Structure parameters

• Formula: C19 H18 O4
• Calculated formula: C19 H18 O4
• SMILES: [C@@]1([C@@H](C1)c1ccccc1)(C(=O)OC)C(=O)c1ccc(cc1)OC
• Title of publication: Asymmetric Rh(II)-Catalyzed Cyclopropanation of Alkenes with Diacceptor Diazo Compounds: p-Methoxyphenyl Ketone as a General Stereoselectivity Controlling Group
• Authors of publication: Vincent N. G. Lindsay; Cyril Nicolas; André B. Charette
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 8972 - 8981
• a: 7.9911 ± 0.0001 Å
• b: 5.5915 ± 0.0001 Å
• c: 17.4447 ± 0.0003 Å
• α: 90°
• β: 91.981 ± 0.001°
• γ: 90°
• Cell volume: 779 ± 0.02 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0358
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No