Information card for entry 4516234

Structure parameters

• Formula: C22 H24 O6
• Calculated formula: C22 H24 O6
• SMILES: O1C(=O)CC[C@@]21[C@H]1C(=C[C@@](C2=O)([C@]2([C@@H]1[C@@]1(OC(=O)CC1)C(=O)C(=C2)C)C)C)C
• Title of publication: High-Performance Ammonium Hypoiodite/Oxone Catalysis for Enantioselective Oxidative Dearomatization of Arenols
• Authors of publication: Uyanik, Muhammet; Kato, Takehiro; Sahara, Naoto; Katade, Outa; Ishihara, Kazuaki
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Pages of publication: 11619
• a: 6.7404 ± 0.0017 Å
• b: 10.373 ± 0.003 Å
• c: 13.488 ± 0.004 Å
• α: 90°
• β: 90.437 ± 0.007°
• γ: 90°
• Cell volume: 943 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0807
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.21
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No