Information card for entry 4124403

Structure parameters

• Formula: C15 H22 O5
• Calculated formula: C15 H22 O5
• SMILES: O[C@]([C@H](O)C)(C(=O)OC(C)(C)C)c1cccc(OC)c1
• Title of publication: Enantioselective Oxidation of Alkenes with Potassium Permanganate Catalyzed by Chiral Dicationic Bisguanidinium.
• Authors of publication: Wang, Chao; Zong, Lili; Tan, Choon-Hong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Pages of publication: 150813122746001
• a: 5.8957 ± 0.0009 Å
• b: 10.6844 ± 0.0016 Å
• c: 12.4428 ± 0.0019 Å
• α: 96.538 ± 0.004°
• β: 102.138 ± 0.004°
• γ: 90.841 ± 0.004°
• Cell volume: 760.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No