Information card for entry 4124401

Structure parameters

• Formula: C15 H20 O4
• Calculated formula: C15 H20 O4
• SMILES: CC(C)(C)OC(=O)C(=C\OC)\c1cccc(c1)OC
• 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: 9.411 ± 0.0006 Å
• b: 7.6061 ± 0.0005 Å
• c: 20.4195 ± 0.0014 Å
• α: 90°
• β: 102.196 ± 0.002°
• γ: 90°
• Cell volume: 1428.66 ± 0.16 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No