Information card for entry 1567169

Structure parameters

• Formula: C14 H17 Br O5
• Calculated formula: C14 H17 Br O5
• Title of publication: Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6.
• Authors of publication: Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 28
• Pages of publication: 8429 - 8435
• a: 7.8803 ± 0.0002 Å
• b: 9.7157 ± 0.0002 Å
• c: 10.6212 ± 0.0002 Å
• α: 94.241 ± 0.001°
• β: 94.434 ± 0.002°
• γ: 111.794 ± 0.002°
• Cell volume: 748.16 ± 0.03 ų
• Cell temperature: 303.15 ± 0.1 K
• Ambient diffraction temperature: 303.15 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No